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Opened 71 minutes ago
#20808 new defect
ChimeraX bug report submission
| Reported by: | Owned by: | ||
|---|---|---|---|
| Priority: | normal | Milestone: | |
| Component: | Unassigned | Version: | |
| Keywords: | Cc: | ||
| Blocked By: | Blocking: | ||
| Notify when closed: | Platform: | ||
| Project: |
Description
The following bug report has been submitted:
Platform: Windows-10-10.0.26200
ChimeraX Version: 1.12 (2026-06-12 03:42:34 UTC)
Description
Replace this text with list of actions that caused this problem to occur
Log:
UCSF ChimeraX version: 1.12 (2026-06-12)
© 2016-2026 Regents of the University of California. All rights reserved.
How to cite UCSF ChimeraX
> open C:\Users\lualg\Desktop\prj2\4XYF.cif format mmcif
4XYF.cif title:
Crystal structure of c-Met in complex with
(S)-5-(8-fluoro-3-(1-(3-(2-methoxyethoxy)quinolin-6-yl)ethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-methylisoxazole
[more info...]
Chain information for 4XYF.cif #1
---
Chain | Description | UniProt
A | Hepatocyte growth factor receptor | MET_HUMAN 1048-1351
Non-standard residues in 4XYF.cif #1
---
44X —
6-{(1S)-1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl}-3-(2-methoxyethoxy)quinoline
14 atoms have alternate locations. Control/examine alternate locations with
Altloc Explorer [start tool...] or the altlocs command.
> save C:/Users/lualg/Desktop/prj2/cmet.cxs
> show sel
> select ligand
33 atoms, 37 bonds, 1 residue, 1 model selected
> ùshow sel
Unknown command: ùshow sel
> show sel
> select zone /A:1401 5
Selected 99 atoms
> select zone /A:1401 5
Selected 99 atoms
> label sel
> save C:/Users/lualg/Desktop/prj2/4XYF_analysis.cxs
> select zone /A:1401 5
Selected 99 atoms, 1 surfaces
> info selection
atom id /A:1084@CA idatm_type C3
atom id /A:1084@C idatm_type C2
atom id /A:1084@O idatm_type O2
atom id /A:1084@CB idatm_type C3
atom id /A:1084@CG1 idatm_type C3
atom id /A:1084@CG2 idatm_type C3
atom id /A:1084@CD1 idatm_type C3
atom id /A:1086@O idatm_type O2
atom id /A:1092@CB idatm_type C3
atom id /A:1092@CG1 idatm_type C3
atom id /A:1092@CG2 idatm_type C3
atom id /A:1108@CA idatm_type C3
atom id /A:1108@CB idatm_type C3
atom id /A:1110@CB idatm_type C3
atom id /A:1110@CG idatm_type C3
atom id /A:1110@CD idatm_type C3
atom id /A:1140@CD2 idatm_type C3
atom id /A:1157@CB idatm_type C3
atom id /A:1157@CG idatm_type C3
atom id /A:1157@CD2 idatm_type C3
atom id /A:1158@C idatm_type C2
atom id /A:1158@O idatm_type O2
atom id /A:1159@CA idatm_type C3
atom id /A:1159@C idatm_type C2
atom id /A:1159@CB idatm_type C3
atom id /A:1159@CG idatm_type Car
atom id /A:1159@CD1 idatm_type Car
atom id /A:1159@CD2 idatm_type Car
atom id /A:1159@CE1 idatm_type Car
atom id /A:1159@CE2 idatm_type Car
atom id /A:1159@CZ idatm_type Car
atom id /A:1159@OH idatm_type O3
atom id /A:1160@N idatm_type Npl
atom id /A:1160@CA idatm_type C3
atom id /A:1160@C idatm_type C2
atom id /A:1160@O idatm_type O2
atom id /A:1160@CB idatm_type C3
atom id /A:1160@CG idatm_type C3
atom id /A:1161@N idatm_type Npl
atom id /A:1161@C idatm_type C2
atom id /A:1161@O idatm_type O2
atom id /A:1162@CA idatm_type C3
atom id /A:1162@C idatm_type C2
atom id /A:1162@O idatm_type O2
atom id /A:1163@N idatm_type Npl
atom id /A:1163@CA idatm_type C3
atom id /A:1164@CB idatm_type C3
atom id /A:1164@CG idatm_type Cac
atom id /A:1164@OD1 idatm_type O2-
atom id /A:1164@OD2 idatm_type O2-
atom id /A:1167@CG idatm_type C2
atom id /A:1167@ND2 idatm_type Npl
atom id /A:1208@C idatm_type C2
atom id /A:1208@O idatm_type O2
atom id /A:1209@N idatm_type Npl
atom id /A:1209@CA idatm_type C3
atom id /A:1209@C idatm_type C2
atom id /A:1209@O idatm_type O2
atom id /A:1209@CB idatm_type C3
atom id /A:1209@CG idatm_type C2
atom id /A:1209@OD1 idatm_type O2
atom id /A:1210@N idatm_type Npl
atom id /A:1210@CA idatm_type C3
atom id /A:1210@C idatm_type C2
atom id /A:1210@O idatm_type O2
atom id /A:1211@CG idatm_type C3
atom id /A:1211@SD idatm_type S3
atom id /A:1211@CE idatm_type C3
atom id /A:1221@N idatm_type Npl
atom id /A:1221@CA idatm_type C3
atom id /A:1221@C idatm_type C2
atom id /A:1221@O idatm_type O2
atom id /A:1221@CB idatm_type C3
atom id /A:1222@N idatm_type Npl
atom id /A:1222@CA idatm_type C3
atom id /A:1222@CB idatm_type C3
atom id /A:1222@CG idatm_type Cac
atom id /A:1222@OD1 idatm_type O2-
atom id /A:1226@CA idatm_type C3
atom id /A:1226@C idatm_type C2
atom id /A:1226@O idatm_type O2
atom id /A:1226@CB idatm_type C3
atom id /A:1230@CA idatm_type C3
atom id /A:1230@C idatm_type C2
atom id /A:1230@O idatm_type O2
atom id /A:1230@CB idatm_type C3
atom id /A:1230@CG idatm_type Car
atom id /A:1230@CD1 idatm_type Car
atom id /A:1230@CD2 idatm_type Car
atom id /A:1230@CE1 idatm_type Car
atom id /A:1230@CE2 idatm_type Car
atom id /A:1230@CZ idatm_type Car
atom id /A:1230@OH idatm_type O3
atom id /A:1608@O idatm_type O3
atom id /A:1609@O idatm_type O3
atom id /A:1628@O idatm_type O3
atom id /A:1662@O idatm_type O3
atom id /A:1668@O idatm_type O3
atom id /A:1699@O idatm_type O3
> hide atoms
> select /A:1401
33 atoms, 37 bonds, 1 residue, 1 model selected
> show sel
> hide sel cartoons
[Repeated 1 time(s)]
> hide sel atoms
> hide sel cartoons
> show sel cartoons
> show sel atoms
> select zone /A:1401 5
Selected 99 atoms, 1 surfaces
> show sel
> info residues
residue id /A:1052 name HIS index 4
residue id /A:1053 name ILE index 5
residue id /A:1054 name ASP index 6
residue id /A:1055 name LEU index 7
residue id /A:1056 name SER index 8
residue id /A:1057 name ALA index 9
residue id /A:1058 name LEU index 10
residue id /A:1059 name ASN index 11
residue id /A:1060 name PRO index 12
residue id /A:1061 name GLU index 13
residue id /A:1062 name LEU index 14
residue id /A:1063 name VAL index 15
residue id /A:1064 name GLN index 16
residue id /A:1065 name ALA index 17
residue id /A:1066 name VAL index 18
residue id /A:1067 name GLN index 19
residue id /A:1068 name HIS index 20
residue id /A:1069 name VAL index 21
residue id /A:1070 name VAL index 22
residue id /A:1071 name ILE index 23
residue id /A:1072 name GLY index 24
residue id /A:1073 name PRO index 25
residue id /A:1074 name SER index 26
residue id /A:1075 name SER index 27
residue id /A:1076 name LEU index 28
residue id /A:1077 name ILE index 29
residue id /A:1078 name VAL index 30
residue id /A:1079 name HIS index 31
residue id /A:1080 name PHE index 32
residue id /A:1081 name ASN index 33
residue id /A:1082 name GLU index 34
residue id /A:1083 name VAL index 35
residue id /A:1084 name ILE index 36
residue id /A:1085 name GLY index 37
residue id /A:1086 name ARG index 38
residue id /A:1087 name GLY index 39
residue id /A:1088 name HIS index 40
residue id /A:1089 name PHE index 41
residue id /A:1090 name GLY index 42
residue id /A:1091 name CYS index 43
residue id /A:1092 name VAL index 44
residue id /A:1093 name TYR index 45
residue id /A:1094 name HIS index 46
residue id /A:1095 name GLY index 47
residue id /A:1096 name THR index 48
residue id /A:1097 name LEU index 49
residue id /A:1098 name LEU index 50
residue id /A:1104 name LYS index 56
residue id /A:1105 name ILE index 57
residue id /A:1106 name HIS index 58
residue id /A:1107 name CYS index 59
residue id /A:1108 name ALA index 60
residue id /A:1109 name VAL index 61
residue id /A:1110 name LYS index 62
residue id /A:1111 name SER index 63
residue id /A:1112 name LEU index 64
residue id /A:1113 name ASN index 65
residue id /A:1114 name ARG index 66
residue id /A:1115 name ILE index 67
residue id /A:1116 name THR index 68
residue id /A:1117 name ASP index 69
residue id /A:1118 name ILE index 70
residue id /A:1119 name GLY index 71
residue id /A:1120 name GLU index 72
residue id /A:1121 name VAL index 73
residue id /A:1122 name SER index 74
residue id /A:1123 name GLN index 75
residue id /A:1124 name PHE index 76
residue id /A:1125 name LEU index 77
residue id /A:1126 name THR index 78
residue id /A:1127 name GLU index 79
residue id /A:1128 name GLY index 80
residue id /A:1129 name ILE index 81
residue id /A:1130 name ILE index 82
residue id /A:1131 name MET index 83
residue id /A:1132 name LYS index 84
residue id /A:1133 name ASP index 85
residue id /A:1134 name PHE index 86
residue id /A:1135 name SER index 87
residue id /A:1136 name HIS index 88
residue id /A:1137 name PRO index 89
residue id /A:1138 name ASN index 90
residue id /A:1139 name VAL index 91
residue id /A:1140 name LEU index 92
residue id /A:1141 name SER index 93
residue id /A:1142 name LEU index 94
residue id /A:1143 name LEU index 95
residue id /A:1144 name GLY index 96
residue id /A:1145 name ILE index 97
residue id /A:1146 name CYS index 98
residue id /A:1147 name LEU index 99
residue id /A:1148 name ARG index 100
residue id /A:1149 name SER index 101
residue id /A:1150 name GLU index 102
residue id /A:1151 name GLY index 103
residue id /A:1152 name SER index 104
residue id /A:1153 name PRO index 105
residue id /A:1154 name LEU index 106
residue id /A:1155 name VAL index 107
residue id /A:1156 name VAL index 108
residue id /A:1157 name LEU index 109
residue id /A:1158 name PRO index 110
residue id /A:1159 name TYR index 111
residue id /A:1160 name MET index 112
residue id /A:1161 name LYS index 113
residue id /A:1162 name HIS index 114
residue id /A:1163 name GLY index 115
residue id /A:1164 name ASP index 116
residue id /A:1165 name LEU index 117
residue id /A:1166 name ARG index 118
residue id /A:1167 name ASN index 119
residue id /A:1168 name PHE index 120
residue id /A:1169 name ILE index 121
residue id /A:1170 name ARG index 122
residue id /A:1171 name ASN index 123
residue id /A:1172 name GLU index 124
residue id /A:1173 name THR index 125
residue id /A:1174 name HIS index 126
residue id /A:1175 name ASN index 127
residue id /A:1176 name PRO index 128
residue id /A:1177 name THR index 129
residue id /A:1178 name VAL index 130
residue id /A:1179 name LYS index 131
residue id /A:1180 name ASP index 132
residue id /A:1181 name LEU index 133
residue id /A:1182 name ILE index 134
residue id /A:1183 name GLY index 135
residue id /A:1184 name PHE index 136
residue id /A:1185 name GLY index 137
residue id /A:1186 name LEU index 138
residue id /A:1187 name GLN index 139
residue id /A:1188 name VAL index 140
residue id /A:1189 name ALA index 141
residue id /A:1190 name LYS index 142
residue id /A:1191 name GLY index 143
residue id /A:1192 name MET index 144
residue id /A:1193 name LYS index 145
residue id /A:1194 name TYR index 146
residue id /A:1195 name LEU index 147
residue id /A:1196 name ALA index 148
residue id /A:1197 name SER index 149
residue id /A:1198 name LYS index 150
residue id /A:1199 name LYS index 151
residue id /A:1200 name PHE index 152
residue id /A:1201 name VAL index 153
residue id /A:1202 name HIS index 154
residue id /A:1203 name ARG index 155
residue id /A:1204 name ASP index 156
residue id /A:1205 name LEU index 157
residue id /A:1206 name ALA index 158
residue id /A:1207 name ALA index 159
residue id /A:1208 name ARG index 160
residue id /A:1209 name ASN index 161
residue id /A:1210 name CYS index 162
residue id /A:1211 name MET index 163
residue id /A:1212 name LEU index 164
residue id /A:1213 name ASP index 165
residue id /A:1214 name GLU index 166
residue id /A:1215 name LYS index 167
residue id /A:1216 name PHE index 168
residue id /A:1217 name THR index 169
residue id /A:1218 name VAL index 170
residue id /A:1219 name LYS index 171
residue id /A:1220 name VAL index 172
residue id /A:1221 name ALA index 173
residue id /A:1222 name ASP index 174
residue id /A:1223 name PHE index 175
residue id /A:1224 name GLY index 176
residue id /A:1225 name LEU index 177
residue id /A:1226 name ALA index 178
residue id /A:1227 name ARG index 179
residue id /A:1228 name ASP index 180
residue id /A:1229 name MET index 181
residue id /A:1230 name TYR index 182
residue id /A:1231 name ASP index 183
residue id /A:1232 name LYS index 184
residue id /A:1233 name GLU index 185
residue id /A:1234 name TYR index 186
residue id /A:1235 name TYR index 187
residue id /A:1236 name SER index 188
residue id /A:1237 name VAL index 189
residue id /A:1238 name HIS index 190
residue id /A:1239 name ASN index 191
residue id /A:1240 name LYS index 192
residue id /A:1241 name THR index 193
residue id /A:1242 name GLY index 194
residue id /A:1243 name ALA index 195
residue id /A:1244 name LYS index 196
residue id /A:1245 name LEU index 197
residue id /A:1246 name PRO index 198
residue id /A:1247 name VAL index 199
residue id /A:1248 name LYS index 200
residue id /A:1249 name TRP index 201
residue id /A:1250 name MET index 202
residue id /A:1251 name ALA index 203
residue id /A:1252 name LEU index 204
residue id /A:1253 name GLU index 205
residue id /A:1254 name SER index 206
residue id /A:1255 name LEU index 207
residue id /A:1256 name GLN index 208
residue id /A:1257 name THR index 209
residue id /A:1258 name GLN index 210
residue id /A:1259 name LYS index 211
residue id /A:1260 name PHE index 212
residue id /A:1261 name THR index 213
residue id /A:1262 name THR index 214
residue id /A:1263 name LYS index 215
residue id /A:1264 name SER index 216
residue id /A:1265 name ASP index 217
residue id /A:1266 name VAL index 218
residue id /A:1267 name TRP index 219
residue id /A:1268 name SER index 220
residue id /A:1269 name PHE index 221
residue id /A:1270 name GLY index 222
residue id /A:1271 name VAL index 223
residue id /A:1272 name LEU index 224
residue id /A:1273 name LEU index 225
residue id /A:1274 name TRP index 226
residue id /A:1275 name GLU index 227
residue id /A:1276 name LEU index 228
residue id /A:1277 name MET index 229
residue id /A:1278 name THR index 230
residue id /A:1279 name ARG index 231
residue id /A:1280 name GLY index 232
residue id /A:1281 name ALA index 233
residue id /A:1282 name PRO index 234
residue id /A:1283 name PRO index 235
residue id /A:1284 name TYR index 236
residue id /A:1285 name PRO index 237
residue id /A:1286 name ASP index 238
residue id /A:1287 name VAL index 239
residue id /A:1288 name ASN index 240
residue id /A:1289 name THR index 241
residue id /A:1290 name PHE index 242
residue id /A:1291 name ASP index 243
residue id /A:1292 name ILE index 244
residue id /A:1293 name THR index 245
residue id /A:1294 name VAL index 246
residue id /A:1295 name TYR index 247
residue id /A:1296 name LEU index 248
residue id /A:1297 name LEU index 249
residue id /A:1298 name GLN index 250
residue id /A:1299 name GLY index 251
residue id /A:1300 name ARG index 252
residue id /A:1301 name ARG index 253
residue id /A:1302 name LEU index 254
residue id /A:1303 name LEU index 255
residue id /A:1304 name GLN index 256
residue id /A:1305 name PRO index 257
residue id /A:1306 name GLU index 258
residue id /A:1307 name TYR index 259
residue id /A:1308 name CYS index 260
residue id /A:1309 name PRO index 261
residue id /A:1310 name ASP index 262
residue id /A:1311 name PRO index 263
residue id /A:1312 name LEU index 264
residue id /A:1313 name TYR index 265
residue id /A:1314 name GLU index 266
residue id /A:1315 name VAL index 267
residue id /A:1316 name MET index 268
residue id /A:1317 name LEU index 269
residue id /A:1318 name LYS index 270
residue id /A:1319 name CYS index 271
residue id /A:1320 name TRP index 272
residue id /A:1321 name HIS index 273
residue id /A:1322 name PRO index 274
residue id /A:1323 name LYS index 275
residue id /A:1324 name ALA index 276
residue id /A:1325 name GLU index 277
residue id /A:1326 name MET index 278
residue id /A:1327 name ARG index 279
residue id /A:1328 name PRO index 280
residue id /A:1329 name SER index 281
residue id /A:1330 name PHE index 282
residue id /A:1331 name SER index 283
residue id /A:1332 name GLU index 284
residue id /A:1333 name LEU index 285
residue id /A:1334 name VAL index 286
residue id /A:1335 name SER index 287
residue id /A:1336 name ARG index 288
residue id /A:1337 name ILE index 289
residue id /A:1338 name SER index 290
residue id /A:1339 name ALA index 291
residue id /A:1340 name ILE index 292
residue id /A:1341 name PHE index 293
residue id /A:1342 name SER index 294
residue id /A:1343 name THR index 295
residue id /A:1344 name PHE index 296
residue id /A:1345 name ILE index 297
residue id /A:1346 name GLY index 298
residue id /A:1401 name 44X
residue id /A:1501 name HOH
residue id /A:1502 name HOH
residue id /A:1503 name HOH
residue id /A:1504 name HOH
residue id /A:1505 name HOH
residue id /A:1506 name HOH
residue id /A:1507 name HOH
residue id /A:1508 name HOH
residue id /A:1509 name HOH
residue id /A:1510 name HOH
residue id /A:1511 name HOH
residue id /A:1512 name HOH
residue id /A:1513 name HOH
residue id /A:1514 name HOH
residue id /A:1515 name HOH
residue id /A:1516 name HOH
residue id /A:1517 name HOH
residue id /A:1518 name HOH
residue id /A:1519 name HOH
residue id /A:1520 name HOH
residue id /A:1521 name HOH
residue id /A:1522 name HOH
residue id /A:1523 name HOH
residue id /A:1524 name HOH
residue id /A:1525 name HOH
residue id /A:1526 name HOH
residue id /A:1527 name HOH
residue id /A:1528 name HOH
residue id /A:1529 name HOH
residue id /A:1530 name HOH
residue id /A:1531 name HOH
residue id /A:1532 name HOH
residue id /A:1533 name HOH
residue id /A:1534 name HOH
residue id /A:1535 name HOH
residue id /A:1536 name HOH
residue id /A:1537 name HOH
residue id /A:1538 name HOH
residue id /A:1539 name HOH
residue id /A:1540 name HOH
residue id /A:1541 name HOH
residue id /A:1542 name HOH
residue id /A:1543 name HOH
residue id /A:1544 name HOH
residue id /A:1545 name HOH
residue id /A:1546 name HOH
residue id /A:1547 name HOH
residue id /A:1548 name HOH
residue id /A:1549 name HOH
residue id /A:1550 name HOH
residue id /A:1551 name HOH
residue id /A:1552 name HOH
residue id /A:1553 name HOH
residue id /A:1554 name HOH
residue id /A:1555 name HOH
residue id /A:1556 name HOH
residue id /A:1557 name HOH
residue id /A:1558 name HOH
residue id /A:1559 name HOH
residue id /A:1560 name HOH
residue id /A:1561 name HOH
residue id /A:1562 name HOH
residue id /A:1563 name HOH
residue id /A:1564 name HOH
residue id /A:1565 name HOH
residue id /A:1566 name HOH
residue id /A:1567 name HOH
residue id /A:1568 name HOH
residue id /A:1569 name HOH
residue id /A:1570 name HOH
residue id /A:1571 name HOH
residue id /A:1572 name HOH
residue id /A:1573 name HOH
residue id /A:1574 name HOH
residue id /A:1575 name HOH
residue id /A:1576 name HOH
residue id /A:1577 name HOH
residue id /A:1578 name HOH
residue id /A:1579 name HOH
residue id /A:1580 name HOH
residue id /A:1581 name HOH
residue id /A:1582 name HOH
residue id /A:1583 name HOH
residue id /A:1584 name HOH
residue id /A:1585 name HOH
residue id /A:1586 name HOH
residue id /A:1587 name HOH
residue id /A:1588 name HOH
residue id /A:1589 name HOH
residue id /A:1590 name HOH
residue id /A:1591 name HOH
residue id /A:1592 name HOH
residue id /A:1593 name HOH
residue id /A:1594 name HOH
residue id /A:1595 name HOH
residue id /A:1596 name HOH
residue id /A:1597 name HOH
residue id /A:1598 name HOH
residue id /A:1599 name HOH
residue id /A:1600 name HOH
residue id /A:1601 name HOH
residue id /A:1602 name HOH
residue id /A:1603 name HOH
residue id /A:1604 name HOH
residue id /A:1605 name HOH
residue id /A:1606 name HOH
residue id /A:1607 name HOH
residue id /A:1608 name HOH
residue id /A:1609 name HOH
residue id /A:1610 name HOH
residue id /A:1611 name HOH
residue id /A:1612 name HOH
residue id /A:1613 name HOH
residue id /A:1614 name HOH
residue id /A:1615 name HOH
residue id /A:1616 name HOH
residue id /A:1617 name HOH
residue id /A:1618 name HOH
residue id /A:1619 name HOH
residue id /A:1620 name HOH
residue id /A:1621 name HOH
residue id /A:1622 name HOH
residue id /A:1623 name HOH
residue id /A:1624 name HOH
residue id /A:1625 name HOH
residue id /A:1626 name HOH
residue id /A:1627 name HOH
residue id /A:1628 name HOH
residue id /A:1629 name HOH
residue id /A:1630 name HOH
residue id /A:1631 name HOH
residue id /A:1632 name HOH
residue id /A:1633 name HOH
residue id /A:1634 name HOH
residue id /A:1635 name HOH
residue id /A:1636 name HOH
residue id /A:1637 name HOH
residue id /A:1638 name HOH
residue id /A:1639 name HOH
residue id /A:1640 name HOH
residue id /A:1641 name HOH
residue id /A:1642 name HOH
residue id /A:1643 name HOH
residue id /A:1644 name HOH
residue id /A:1645 name HOH
residue id /A:1646 name HOH
residue id /A:1647 name HOH
residue id /A:1648 name HOH
residue id /A:1649 name HOH
residue id /A:1650 name HOH
residue id /A:1651 name HOH
residue id /A:1652 name HOH
residue id /A:1653 name HOH
residue id /A:1654 name HOH
residue id /A:1655 name HOH
residue id /A:1656 name HOH
residue id /A:1657 name HOH
residue id /A:1658 name HOH
residue id /A:1659 name HOH
residue id /A:1660 name HOH
residue id /A:1661 name HOH
residue id /A:1662 name HOH
residue id /A:1663 name HOH
residue id /A:1664 name HOH
residue id /A:1665 name HOH
residue id /A:1666 name HOH
residue id /A:1667 name HOH
residue id /A:1668 name HOH
residue id /A:1669 name HOH
residue id /A:1670 name HOH
residue id /A:1671 name HOH
residue id /A:1672 name HOH
residue id /A:1673 name HOH
residue id /A:1674 name HOH
residue id /A:1675 name HOH
residue id /A:1676 name HOH
residue id /A:1677 name HOH
residue id /A:1678 name HOH
residue id /A:1679 name HOH
residue id /A:1680 name HOH
residue id /A:1681 name HOH
residue id /A:1682 name HOH
residue id /A:1683 name HOH
residue id /A:1684 name HOH
residue id /A:1685 name HOH
residue id /A:1686 name HOH
residue id /A:1687 name HOH
residue id /A:1688 name HOH
residue id /A:1689 name HOH
residue id /A:1690 name HOH
residue id /A:1691 name HOH
residue id /A:1692 name HOH
residue id /A:1693 name HOH
residue id /A:1694 name HOH
residue id /A:1695 name HOH
residue id /A:1696 name HOH
residue id /A:1697 name HOH
residue id /A:1698 name HOH
residue id /A:1699 name HOH
residue id /A:1700 name HOH
residue id /A:1701 name HOH
residue id /A:1702 name HOH
residue id /A:1703 name HOH
residue id /A:1704 name HOH
residue id /A:1705 name HOH
residue id /A:1706 name HOH
residue id /A:1707 name HOH
residue id /A:1708 name HOH
residue id /A:1709 name HOH
residue id /A:1710 name HOH
residue id /A:1711 name HOH
residue id /A:1712 name HOH
residue id /A:1713 name HOH
residue id /A:1714 name HOH
residue id /A:1715 name HOH
residue id /A:1716 name HOH
residue id /A:1717 name HOH
residue id /A:1718 name HOH
residue id /A:1719 name HOH
residue id /A:1720 name HOH
residue id /A:1721 name HOH
residue id /A:1722 name HOH
residue id /A:1723 name HOH
residue id /A:1724 name HOH
residue id /A:1725 name HOH
residue id /A:1726 name HOH
residue id /A:1727 name HOH
residue id /A:1728 name HOH
residue id /A:1729 name HOH
residue id /A:1730 name HOH
residue id /A:1731 name HOH
residue id /A:1732 name HOH
residue id /A:1733 name HOH
residue id /A:1734 name HOH
residue id /A:1735 name HOH
residue id /A:1736 name HOH
residue id /A:1737 name HOH
residue id /A:1738 name HOH
residue id /A:1739 name HOH
residue id /A:1740 name HOH
residue id /A:1741 name HOH
residue id /A:1742 name HOH
residue id /A:1743 name HOH
residue id /A:1744 name HOH
residue id /A:1745 name HOH
residue id /A:1746 name HOH
residue id /A:1747 name HOH
residue id /A:1748 name HOH
residue id /A:1749 name HOH
residue id /A:1750 name HOH
residue id /A:1751 name HOH
residue id /A:1752 name HOH
residue id /A:1753 name HOH
residue id /A:1754 name HOH
residue id /A:1755 name HOH
> select zone /A:1401 4
Selected 57 atoms, 1 surfaces
> select clear
> select /A:1401
33 atoms, 37 bonds, 1 residue, 1 model selected
> select zone sel 4
Selected 57 atoms, 1 surfaces
> info residues
residue id /A:1052 name HIS index 4
residue id /A:1053 name ILE index 5
residue id /A:1054 name ASP index 6
residue id /A:1055 name LEU index 7
residue id /A:1056 name SER index 8
residue id /A:1057 name ALA index 9
residue id /A:1058 name LEU index 10
residue id /A:1059 name ASN index 11
residue id /A:1060 name PRO index 12
residue id /A:1061 name GLU index 13
residue id /A:1062 name LEU index 14
residue id /A:1063 name VAL index 15
residue id /A:1064 name GLN index 16
residue id /A:1065 name ALA index 17
residue id /A:1066 name VAL index 18
residue id /A:1067 name GLN index 19
residue id /A:1068 name HIS index 20
residue id /A:1069 name VAL index 21
residue id /A:1070 name VAL index 22
residue id /A:1071 name ILE index 23
residue id /A:1072 name GLY index 24
residue id /A:1073 name PRO index 25
residue id /A:1074 name SER index 26
residue id /A:1075 name SER index 27
residue id /A:1076 name LEU index 28
residue id /A:1077 name ILE index 29
residue id /A:1078 name VAL index 30
residue id /A:1079 name HIS index 31
residue id /A:1080 name PHE index 32
residue id /A:1081 name ASN index 33
residue id /A:1082 name GLU index 34
residue id /A:1083 name VAL index 35
residue id /A:1084 name ILE index 36
residue id /A:1085 name GLY index 37
residue id /A:1086 name ARG index 38
residue id /A:1087 name GLY index 39
residue id /A:1088 name HIS index 40
residue id /A:1089 name PHE index 41
residue id /A:1090 name GLY index 42
residue id /A:1091 name CYS index 43
residue id /A:1092 name VAL index 44
residue id /A:1093 name TYR index 45
residue id /A:1094 name HIS index 46
residue id /A:1095 name GLY index 47
residue id /A:1096 name THR index 48
residue id /A:1097 name LEU index 49
residue id /A:1098 name LEU index 50
residue id /A:1104 name LYS index 56
residue id /A:1105 name ILE index 57
residue id /A:1106 name HIS index 58
residue id /A:1107 name CYS index 59
residue id /A:1108 name ALA index 60
residue id /A:1109 name VAL index 61
residue id /A:1110 name LYS index 62
residue id /A:1111 name SER index 63
residue id /A:1112 name LEU index 64
residue id /A:1113 name ASN index 65
residue id /A:1114 name ARG index 66
residue id /A:1115 name ILE index 67
residue id /A:1116 name THR index 68
residue id /A:1117 name ASP index 69
residue id /A:1118 name ILE index 70
residue id /A:1119 name GLY index 71
residue id /A:1120 name GLU index 72
residue id /A:1121 name VAL index 73
residue id /A:1122 name SER index 74
residue id /A:1123 name GLN index 75
residue id /A:1124 name PHE index 76
residue id /A:1125 name LEU index 77
residue id /A:1126 name THR index 78
residue id /A:1127 name GLU index 79
residue id /A:1128 name GLY index 80
residue id /A:1129 name ILE index 81
residue id /A:1130 name ILE index 82
residue id /A:1131 name MET index 83
residue id /A:1132 name LYS index 84
residue id /A:1133 name ASP index 85
residue id /A:1134 name PHE index 86
residue id /A:1135 name SER index 87
residue id /A:1136 name HIS index 88
residue id /A:1137 name PRO index 89
residue id /A:1138 name ASN index 90
residue id /A:1139 name VAL index 91
residue id /A:1140 name LEU index 92
residue id /A:1141 name SER index 93
residue id /A:1142 name LEU index 94
residue id /A:1143 name LEU index 95
residue id /A:1144 name GLY index 96
residue id /A:1145 name ILE index 97
residue id /A:1146 name CYS index 98
residue id /A:1147 name LEU index 99
residue id /A:1148 name ARG index 100
residue id /A:1149 name SER index 101
residue id /A:1150 name GLU index 102
residue id /A:1151 name GLY index 103
residue id /A:1152 name SER index 104
residue id /A:1153 name PRO index 105
residue id /A:1154 name LEU index 106
residue id /A:1155 name VAL index 107
residue id /A:1156 name VAL index 108
residue id /A:1157 name LEU index 109
residue id /A:1158 name PRO index 110
residue id /A:1159 name TYR index 111
residue id /A:1160 name MET index 112
residue id /A:1161 name LYS index 113
residue id /A:1162 name HIS index 114
residue id /A:1163 name GLY index 115
residue id /A:1164 name ASP index 116
residue id /A:1165 name LEU index 117
residue id /A:1166 name ARG index 118
residue id /A:1167 name ASN index 119
residue id /A:1168 name PHE index 120
residue id /A:1169 name ILE index 121
residue id /A:1170 name ARG index 122
residue id /A:1171 name ASN index 123
residue id /A:1172 name GLU index 124
residue id /A:1173 name THR index 125
residue id /A:1174 name HIS index 126
residue id /A:1175 name ASN index 127
residue id /A:1176 name PRO index 128
residue id /A:1177 name THR index 129
residue id /A:1178 name VAL index 130
residue id /A:1179 name LYS index 131
residue id /A:1180 name ASP index 132
residue id /A:1181 name LEU index 133
residue id /A:1182 name ILE index 134
residue id /A:1183 name GLY index 135
residue id /A:1184 name PHE index 136
residue id /A:1185 name GLY index 137
residue id /A:1186 name LEU index 138
residue id /A:1187 name GLN index 139
residue id /A:1188 name VAL index 140
residue id /A:1189 name ALA index 141
residue id /A:1190 name LYS index 142
residue id /A:1191 name GLY index 143
residue id /A:1192 name MET index 144
residue id /A:1193 name LYS index 145
residue id /A:1194 name TYR index 146
residue id /A:1195 name LEU index 147
residue id /A:1196 name ALA index 148
residue id /A:1197 name SER index 149
residue id /A:1198 name LYS index 150
residue id /A:1199 name LYS index 151
residue id /A:1200 name PHE index 152
residue id /A:1201 name VAL index 153
residue id /A:1202 name HIS index 154
residue id /A:1203 name ARG index 155
residue id /A:1204 name ASP index 156
residue id /A:1205 name LEU index 157
residue id /A:1206 name ALA index 158
residue id /A:1207 name ALA index 159
residue id /A:1208 name ARG index 160
residue id /A:1209 name ASN index 161
residue id /A:1210 name CYS index 162
residue id /A:1211 name MET index 163
residue id /A:1212 name LEU index 164
residue id /A:1213 name ASP index 165
residue id /A:1214 name GLU index 166
residue id /A:1215 name LYS index 167
residue id /A:1216 name PHE index 168
residue id /A:1217 name THR index 169
residue id /A:1218 name VAL index 170
residue id /A:1219 name LYS index 171
residue id /A:1220 name VAL index 172
residue id /A:1221 name ALA index 173
residue id /A:1222 name ASP index 174
residue id /A:1223 name PHE index 175
residue id /A:1224 name GLY index 176
residue id /A:1225 name LEU index 177
residue id /A:1226 name ALA index 178
residue id /A:1227 name ARG index 179
residue id /A:1228 name ASP index 180
residue id /A:1229 name MET index 181
residue id /A:1230 name TYR index 182
residue id /A:1231 name ASP index 183
residue id /A:1232 name LYS index 184
residue id /A:1233 name GLU index 185
residue id /A:1234 name TYR index 186
residue id /A:1235 name TYR index 187
residue id /A:1236 name SER index 188
residue id /A:1237 name VAL index 189
residue id /A:1238 name HIS index 190
residue id /A:1239 name ASN index 191
residue id /A:1240 name LYS index 192
residue id /A:1241 name THR index 193
residue id /A:1242 name GLY index 194
residue id /A:1243 name ALA index 195
residue id /A:1244 name LYS index 196
residue id /A:1245 name LEU index 197
residue id /A:1246 name PRO index 198
residue id /A:1247 name VAL index 199
residue id /A:1248 name LYS index 200
residue id /A:1249 name TRP index 201
residue id /A:1250 name MET index 202
residue id /A:1251 name ALA index 203
residue id /A:1252 name LEU index 204
residue id /A:1253 name GLU index 205
residue id /A:1254 name SER index 206
residue id /A:1255 name LEU index 207
residue id /A:1256 name GLN index 208
residue id /A:1257 name THR index 209
residue id /A:1258 name GLN index 210
residue id /A:1259 name LYS index 211
residue id /A:1260 name PHE index 212
residue id /A:1261 name THR index 213
residue id /A:1262 name THR index 214
residue id /A:1263 name LYS index 215
residue id /A:1264 name SER index 216
residue id /A:1265 name ASP index 217
residue id /A:1266 name VAL index 218
residue id /A:1267 name TRP index 219
residue id /A:1268 name SER index 220
residue id /A:1269 name PHE index 221
residue id /A:1270 name GLY index 222
residue id /A:1271 name VAL index 223
residue id /A:1272 name LEU index 224
residue id /A:1273 name LEU index 225
residue id /A:1274 name TRP index 226
residue id /A:1275 name GLU index 227
residue id /A:1276 name LEU index 228
residue id /A:1277 name MET index 229
residue id /A:1278 name THR index 230
residue id /A:1279 name ARG index 231
residue id /A:1280 name GLY index 232
residue id /A:1281 name ALA index 233
residue id /A:1282 name PRO index 234
residue id /A:1283 name PRO index 235
residue id /A:1284 name TYR index 236
residue id /A:1285 name PRO index 237
residue id /A:1286 name ASP index 238
residue id /A:1287 name VAL index 239
residue id /A:1288 name ASN index 240
residue id /A:1289 name THR index 241
residue id /A:1290 name PHE index 242
residue id /A:1291 name ASP index 243
residue id /A:1292 name ILE index 244
residue id /A:1293 name THR index 245
residue id /A:1294 name VAL index 246
residue id /A:1295 name TYR index 247
residue id /A:1296 name LEU index 248
residue id /A:1297 name LEU index 249
residue id /A:1298 name GLN index 250
residue id /A:1299 name GLY index 251
residue id /A:1300 name ARG index 252
residue id /A:1301 name ARG index 253
residue id /A:1302 name LEU index 254
residue id /A:1303 name LEU index 255
residue id /A:1304 name GLN index 256
residue id /A:1305 name PRO index 257
residue id /A:1306 name GLU index 258
residue id /A:1307 name TYR index 259
residue id /A:1308 name CYS index 260
residue id /A:1309 name PRO index 261
residue id /A:1310 name ASP index 262
residue id /A:1311 name PRO index 263
residue id /A:1312 name LEU index 264
residue id /A:1313 name TYR index 265
residue id /A:1314 name GLU index 266
residue id /A:1315 name VAL index 267
residue id /A:1316 name MET index 268
residue id /A:1317 name LEU index 269
residue id /A:1318 name LYS index 270
residue id /A:1319 name CYS index 271
residue id /A:1320 name TRP index 272
residue id /A:1321 name HIS index 273
residue id /A:1322 name PRO index 274
residue id /A:1323 name LYS index 275
residue id /A:1324 name ALA index 276
residue id /A:1325 name GLU index 277
residue id /A:1326 name MET index 278
residue id /A:1327 name ARG index 279
residue id /A:1328 name PRO index 280
residue id /A:1329 name SER index 281
residue id /A:1330 name PHE index 282
residue id /A:1331 name SER index 283
residue id /A:1332 name GLU index 284
residue id /A:1333 name LEU index 285
residue id /A:1334 name VAL index 286
residue id /A:1335 name SER index 287
residue id /A:1336 name ARG index 288
residue id /A:1337 name ILE index 289
residue id /A:1338 name SER index 290
residue id /A:1339 name ALA index 291
residue id /A:1340 name ILE index 292
residue id /A:1341 name PHE index 293
residue id /A:1342 name SER index 294
residue id /A:1343 name THR index 295
residue id /A:1344 name PHE index 296
residue id /A:1345 name ILE index 297
residue id /A:1346 name GLY index 298
residue id /A:1401 name 44X
residue id /A:1501 name HOH
residue id /A:1502 name HOH
residue id /A:1503 name HOH
residue id /A:1504 name HOH
residue id /A:1505 name HOH
residue id /A:1506 name HOH
residue id /A:1507 name HOH
residue id /A:1508 name HOH
residue id /A:1509 name HOH
residue id /A:1510 name HOH
residue id /A:1511 name HOH
residue id /A:1512 name HOH
residue id /A:1513 name HOH
residue id /A:1514 name HOH
residue id /A:1515 name HOH
residue id /A:1516 name HOH
residue id /A:1517 name HOH
residue id /A:1518 name HOH
residue id /A:1519 name HOH
residue id /A:1520 name HOH
residue id /A:1521 name HOH
residue id /A:1522 name HOH
residue id /A:1523 name HOH
residue id /A:1524 name HOH
residue id /A:1525 name HOH
residue id /A:1526 name HOH
residue id /A:1527 name HOH
residue id /A:1528 name HOH
residue id /A:1529 name HOH
residue id /A:1530 name HOH
residue id /A:1531 name HOH
residue id /A:1532 name HOH
residue id /A:1533 name HOH
residue id /A:1534 name HOH
residue id /A:1535 name HOH
residue id /A:1536 name HOH
residue id /A:1537 name HOH
residue id /A:1538 name HOH
residue id /A:1539 name HOH
residue id /A:1540 name HOH
residue id /A:1541 name HOH
residue id /A:1542 name HOH
residue id /A:1543 name HOH
residue id /A:1544 name HOH
residue id /A:1545 name HOH
residue id /A:1546 name HOH
residue id /A:1547 name HOH
residue id /A:1548 name HOH
residue id /A:1549 name HOH
residue id /A:1550 name HOH
residue id /A:1551 name HOH
residue id /A:1552 name HOH
residue id /A:1553 name HOH
residue id /A:1554 name HOH
residue id /A:1555 name HOH
residue id /A:1556 name HOH
residue id /A:1557 name HOH
residue id /A:1558 name HOH
residue id /A:1559 name HOH
residue id /A:1560 name HOH
residue id /A:1561 name HOH
residue id /A:1562 name HOH
residue id /A:1563 name HOH
residue id /A:1564 name HOH
residue id /A:1565 name HOH
residue id /A:1566 name HOH
residue id /A:1567 name HOH
residue id /A:1568 name HOH
residue id /A:1569 name HOH
residue id /A:1570 name HOH
residue id /A:1571 name HOH
residue id /A:1572 name HOH
residue id /A:1573 name HOH
residue id /A:1574 name HOH
residue id /A:1575 name HOH
residue id /A:1576 name HOH
residue id /A:1577 name HOH
residue id /A:1578 name HOH
residue id /A:1579 name HOH
residue id /A:1580 name HOH
residue id /A:1581 name HOH
residue id /A:1582 name HOH
residue id /A:1583 name HOH
residue id /A:1584 name HOH
residue id /A:1585 name HOH
residue id /A:1586 name HOH
residue id /A:1587 name HOH
residue id /A:1588 name HOH
residue id /A:1589 name HOH
residue id /A:1590 name HOH
residue id /A:1591 name HOH
residue id /A:1592 name HOH
residue id /A:1593 name HOH
residue id /A:1594 name HOH
residue id /A:1595 name HOH
residue id /A:1596 name HOH
residue id /A:1597 name HOH
residue id /A:1598 name HOH
residue id /A:1599 name HOH
residue id /A:1600 name HOH
residue id /A:1601 name HOH
residue id /A:1602 name HOH
residue id /A:1603 name HOH
residue id /A:1604 name HOH
residue id /A:1605 name HOH
residue id /A:1606 name HOH
residue id /A:1607 name HOH
residue id /A:1608 name HOH
residue id /A:1609 name HOH
residue id /A:1610 name HOH
residue id /A:1611 name HOH
residue id /A:1612 name HOH
residue id /A:1613 name HOH
residue id /A:1614 name HOH
residue id /A:1615 name HOH
residue id /A:1616 name HOH
residue id /A:1617 name HOH
residue id /A:1618 name HOH
residue id /A:1619 name HOH
residue id /A:1620 name HOH
residue id /A:1621 name HOH
residue id /A:1622 name HOH
residue id /A:1623 name HOH
residue id /A:1624 name HOH
residue id /A:1625 name HOH
residue id /A:1626 name HOH
residue id /A:1627 name HOH
residue id /A:1628 name HOH
residue id /A:1629 name HOH
residue id /A:1630 name HOH
residue id /A:1631 name HOH
residue id /A:1632 name HOH
residue id /A:1633 name HOH
residue id /A:1634 name HOH
residue id /A:1635 name HOH
residue id /A:1636 name HOH
residue id /A:1637 name HOH
residue id /A:1638 name HOH
residue id /A:1639 name HOH
residue id /A:1640 name HOH
residue id /A:1641 name HOH
residue id /A:1642 name HOH
residue id /A:1643 name HOH
residue id /A:1644 name HOH
residue id /A:1645 name HOH
residue id /A:1646 name HOH
residue id /A:1647 name HOH
residue id /A:1648 name HOH
residue id /A:1649 name HOH
residue id /A:1650 name HOH
residue id /A:1651 name HOH
residue id /A:1652 name HOH
residue id /A:1653 name HOH
residue id /A:1654 name HOH
residue id /A:1655 name HOH
residue id /A:1656 name HOH
residue id /A:1657 name HOH
residue id /A:1658 name HOH
residue id /A:1659 name HOH
residue id /A:1660 name HOH
residue id /A:1661 name HOH
residue id /A:1662 name HOH
residue id /A:1663 name HOH
residue id /A:1664 name HOH
residue id /A:1665 name HOH
residue id /A:1666 name HOH
residue id /A:1667 name HOH
residue id /A:1668 name HOH
residue id /A:1669 name HOH
residue id /A:1670 name HOH
residue id /A:1671 name HOH
residue id /A:1672 name HOH
residue id /A:1673 name HOH
residue id /A:1674 name HOH
residue id /A:1675 name HOH
residue id /A:1676 name HOH
residue id /A:1677 name HOH
residue id /A:1678 name HOH
residue id /A:1679 name HOH
residue id /A:1680 name HOH
residue id /A:1681 name HOH
residue id /A:1682 name HOH
residue id /A:1683 name HOH
residue id /A:1684 name HOH
residue id /A:1685 name HOH
residue id /A:1686 name HOH
residue id /A:1687 name HOH
residue id /A:1688 name HOH
residue id /A:1689 name HOH
residue id /A:1690 name HOH
residue id /A:1691 name HOH
residue id /A:1692 name HOH
residue id /A:1693 name HOH
residue id /A:1694 name HOH
residue id /A:1695 name HOH
residue id /A:1696 name HOH
residue id /A:1697 name HOH
residue id /A:1698 name HOH
residue id /A:1699 name HOH
residue id /A:1700 name HOH
residue id /A:1701 name HOH
residue id /A:1702 name HOH
residue id /A:1703 name HOH
residue id /A:1704 name HOH
residue id /A:1705 name HOH
residue id /A:1706 name HOH
residue id /A:1707 name HOH
residue id /A:1708 name HOH
residue id /A:1709 name HOH
residue id /A:1710 name HOH
residue id /A:1711 name HOH
residue id /A:1712 name HOH
residue id /A:1713 name HOH
residue id /A:1714 name HOH
residue id /A:1715 name HOH
residue id /A:1716 name HOH
residue id /A:1717 name HOH
residue id /A:1718 name HOH
residue id /A:1719 name HOH
residue id /A:1720 name HOH
residue id /A:1721 name HOH
residue id /A:1722 name HOH
residue id /A:1723 name HOH
residue id /A:1724 name HOH
residue id /A:1725 name HOH
residue id /A:1726 name HOH
residue id /A:1727 name HOH
residue id /A:1728 name HOH
residue id /A:1729 name HOH
residue id /A:1730 name HOH
residue id /A:1731 name HOH
residue id /A:1732 name HOH
residue id /A:1733 name HOH
residue id /A:1734 name HOH
residue id /A:1735 name HOH
residue id /A:1736 name HOH
residue id /A:1737 name HOH
residue id /A:1738 name HOH
residue id /A:1739 name HOH
residue id /A:1740 name HOH
residue id /A:1741 name HOH
residue id /A:1742 name HOH
residue id /A:1743 name HOH
residue id /A:1744 name HOH
residue id /A:1745 name HOH
residue id /A:1746 name HOH
residue id /A:1747 name HOH
residue id /A:1748 name HOH
residue id /A:1749 name HOH
residue id /A:1750 name HOH
residue id /A:1751 name HOH
residue id /A:1752 name HOH
residue id /A:1753 name HOH
residue id /A:1754 name HOH
residue id /A:1755 name HOH
> delete solvent
> select :1052-1346
2311 atoms, 2369 bonds, 1 pseudobond, 290 residues, 2 models selected
> write format pdb selected recettore.pdb
Unknown command: write format pdb selected recettore.pdb
> select :1401
33 atoms, 37 bonds, 1 residue, 1 model selected
> write format pdb selected ligando.pdb
Unknown command: write format pdb selected ligando.pdb
> select :1401
33 atoms, 37 bonds, 1 residue, 1 model selected
> save ligando.pdb selectedOnly
Missing "selectedOnly" keyword's argument
> save ligando.pdb selectedOnly true
> save ligando.mol2 selectedOnly true
Expected a models specifier or a keyword
> save ligando.pdb models #1 selectedOnly true
> save ligando.mol2 selectedOnly true
Expected a models specifier or a keyword
> save ligando.mol2 models #1
> hide #!1.1 models
> hide #1.1.1 models
> hide #1.2 models
> show #1.2 models
> show #1.1.1 models
> hide #!1 models
> show #!1 models
> select add #1.1
33 atoms, 37 bonds, 1 pseudobond, 1 residue, 3 models selected
> select subtract #1.1
33 atoms, 37 bonds, 1 residue, 1 model selected
> select add #1.1
33 atoms, 37 bonds, 1 pseudobond, 1 residue, 3 models selected
> select subtract #1.1
33 atoms, 37 bonds, 1 residue, 1 model selected
> select add #1
2344 atoms, 2406 bonds, 1 pseudobond, 291 residues, 4 models selected
> select subtract #1
Nothing selected
> select :1401
33 atoms, 37 bonds, 1 residue, 1 model selected
> copy sel
Unknown command: copy sel
> select 1401
Expected an objects specifier or a keyword
> select :1401
33 atoms, 37 bonds, 1 residue, 1 model selected
> copy sel
Unknown command: copy sel
> write selected ligando.pdb
Unknown command: write selected ligando.pdb
> save ligando.pdb selectedOnly
Missing "selectedOnly" keyword's argument
> save ligando.pdb selectedOnly
Missing "selectedOnly" keyword's argument
> save ligando.pdb selectedOnly true
> save ligando.pdb models #1 selectedOnly true
> models
Unknown command: models
> list
Unknown command: modeller list
>
Incomplete command: modeller
> modellist
Unknown command: modellist
> list
Unknown command: modeller list
> version
UCSF ChimeraX version: 1.12 (2026-06-12)
© 2016-2026 Regents of the University of California. All rights reserved.
> select /A:1401
33 atoms, 37 bonds, 1 residue, 1 model selected
> info selection
atom id /A:1401@C21 idatm_type C3
atom id /A:1401@C19 idatm_type Car
atom id /A:1401@C20 idatm_type Car
atom id /A:1401@N5 idatm_type N2
atom id /A:1401@O1 idatm_type Oar
atom id /A:1401@C18 idatm_type Car
atom id /A:1401@C15 idatm_type C2
atom id /A:1401@C16 idatm_type C2
atom id /A:1401@C17 idatm_type C2
atom id /A:1401@F1 idatm_type F
atom id /A:1401@C14 idatm_type C2
atom id /A:1401@N2 idatm_type Npl
atom id /A:1401@C13 idatm_type Car
atom id /A:1401@N3 idatm_type N2
atom id /A:1401@N4 idatm_type N2
atom id /A:1401@C11 idatm_type Car
atom id /A:1401@C10 idatm_type C3
atom id /A:1401@C12 idatm_type C3
atom id /A:1401@C7 idatm_type Car
atom id /A:1401@C6 idatm_type Car
atom id /A:1401@C4 idatm_type Car
atom id /A:1401@C3 idatm_type Car
atom id /A:1401@C8 idatm_type Car
atom id /A:1401@C9 idatm_type Car
atom id /A:1401@C5 idatm_type Car
atom id /A:1401@N1 idatm_type N2
atom id /A:1401@C1 idatm_type Car
atom id /A:1401@C2 idatm_type Car
atom id /A:1401@O2 idatm_type O3
atom id /A:1401@C22 idatm_type C3
atom id /A:1401@C23 idatm_type C3
atom id /A:1401@O3 idatm_type O3
atom id /A:1401@C24 idatm_type C3
> save ligando.pdb selectedOnly true
> save ligando.mol2 format mol2 atoms /A:1401
>
Incomplete command: modeller
>
Incomplete command: modeller
>
Incomplete command: modeller
> list
Unknown command: modeller list
> list
Unknown command: modeller list
> info models
model id #1 type AtomicStructure name 4XYF.cif
model id #1.1 type PseudobondGroup name "missing structure"
model id #1.1.1 type ObjectLabels name labels
model id #1.2 type ObjectLabels name labels
> select /A:1401
33 atoms, 37 bonds, 1 residue, 1 model selected
> save ligando.pdb models #1 selectedOnly true
> save ligando.mol2 models #1 atoms /A:1401
Traceback (most recent call last):
File "C:\Program Files\ChimeraX 1.12\bin\Lib\site-
packages\chimerax\cmd_line\tool.py", line 322, in execute
cmd.run(cmd_text)
File "C:\Program Files\ChimeraX 1.12\bin\Lib\site-
packages\chimerax\core\commands\cli.py", line 3245, in run
result = ci.function(session, **kw_args)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\Program Files\ChimeraX 1.12\bin\Lib\site-
packages\chimerax\save_command\cmd.py", line 86, in cmd_save
Command(session, registry=registry).run(provider_cmd_text, log=log)
File "C:\Program Files\ChimeraX 1.12\bin\Lib\site-
packages\chimerax\core\commands\cli.py", line 3245, in run
result = ci.function(session, **kw_args)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\Program Files\ChimeraX 1.12\bin\Lib\site-
packages\chimerax\save_command\cmd.py", line 101, in provider_save
saver_info.save(session, path, **provider_kw)
File "C:\Program Files\ChimeraX 1.12\bin\Lib\site-
packages\chimerax\mol2\\__init__.py", line 38, in save
write_mol2(session, path, status=session.logger.status, **kw)
File "C:\Program Files\ChimeraX 1.12\bin\Lib\site-
packages\chimerax\mol2\io.py", line 193, in write_mol2
raise ValueError("Cannot specify both 'models' and 'atoms' keywords")
ValueError: Cannot specify both 'models' and 'atoms' keywords
ValueError: Cannot specify both 'models' and 'atoms' keywords
File "C:\Program Files\ChimeraX 1.12\bin\Lib\site-
packages\chimerax\mol2\io.py", line 193, in write_mol2
raise ValueError("Cannot specify both 'models' and 'atoms' keywords")
See log for complete Python traceback.
> save ligando.mol2 models #1 atoms /A:1401
Traceback (most recent call last):
File "C:\Program Files\ChimeraX 1.12\bin\Lib\site-
packages\chimerax\cmd_line\tool.py", line 322, in execute
cmd.run(cmd_text)
File "C:\Program Files\ChimeraX 1.12\bin\Lib\site-
packages\chimerax\core\commands\cli.py", line 3245, in run
result = ci.function(session, **kw_args)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\Program Files\ChimeraX 1.12\bin\Lib\site-
packages\chimerax\save_command\cmd.py", line 86, in cmd_save
Command(session, registry=registry).run(provider_cmd_text, log=log)
File "C:\Program Files\ChimeraX 1.12\bin\Lib\site-
packages\chimerax\core\commands\cli.py", line 3245, in run
result = ci.function(session, **kw_args)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\Program Files\ChimeraX 1.12\bin\Lib\site-
packages\chimerax\save_command\cmd.py", line 101, in provider_save
saver_info.save(session, path, **provider_kw)
File "C:\Program Files\ChimeraX 1.12\bin\Lib\site-
packages\chimerax\mol2\\__init__.py", line 38, in save
write_mol2(session, path, status=session.logger.status, **kw)
File "C:\Program Files\ChimeraX 1.12\bin\Lib\site-
packages\chimerax\mol2\io.py", line 193, in write_mol2
raise ValueError("Cannot specify both 'models' and 'atoms' keywords")
ValueError: Cannot specify both 'models' and 'atoms' keywords
ValueError: Cannot specify both 'models' and 'atoms' keywords
File "C:\Program Files\ChimeraX 1.12\bin\Lib\site-
packages\chimerax\mol2\io.py", line 193, in write_mol2
raise ValueError("Cannot specify both 'models' and 'atoms' keywords")
See log for complete Python traceback.
> save ligando.mol2 models #1 atoms /A:1401
Traceback (most recent call last):
File "C:\Program Files\ChimeraX 1.12\bin\Lib\site-
packages\chimerax\cmd_line\tool.py", line 322, in execute
cmd.run(cmd_text)
File "C:\Program Files\ChimeraX 1.12\bin\Lib\site-
packages\chimerax\core\commands\cli.py", line 3245, in run
result = ci.function(session, **kw_args)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\Program Files\ChimeraX 1.12\bin\Lib\site-
packages\chimerax\save_command\cmd.py", line 86, in cmd_save
Command(session, registry=registry).run(provider_cmd_text, log=log)
File "C:\Program Files\ChimeraX 1.12\bin\Lib\site-
packages\chimerax\core\commands\cli.py", line 3245, in run
result = ci.function(session, **kw_args)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\Program Files\ChimeraX 1.12\bin\Lib\site-
packages\chimerax\save_command\cmd.py", line 101, in provider_save
saver_info.save(session, path, **provider_kw)
File "C:\Program Files\ChimeraX 1.12\bin\Lib\site-
packages\chimerax\mol2\\__init__.py", line 38, in save
write_mol2(session, path, status=session.logger.status, **kw)
File "C:\Program Files\ChimeraX 1.12\bin\Lib\site-
packages\chimerax\mol2\io.py", line 193, in write_mol2
raise ValueError("Cannot specify both 'models' and 'atoms' keywords")
ValueError: Cannot specify both 'models' and 'atoms' keywords
ValueError: Cannot specify both 'models' and 'atoms' keywords
File "C:\Program Files\ChimeraX 1.12\bin\Lib\site-
packages\chimerax\mol2\io.py", line 193, in write_mol2
raise ValueError("Cannot specify both 'models' and 'atoms' keywords")
See log for complete Python traceback.
> save ligando.mol2 models #1 atoms /A:1401
Traceback (most recent call last):
File "C:\Program Files\ChimeraX 1.12\bin\Lib\site-
packages\chimerax\cmd_line\tool.py", line 322, in execute
cmd.run(cmd_text)
File "C:\Program Files\ChimeraX 1.12\bin\Lib\site-
packages\chimerax\core\commands\cli.py", line 3245, in run
result = ci.function(session, **kw_args)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\Program Files\ChimeraX 1.12\bin\Lib\site-
packages\chimerax\save_command\cmd.py", line 86, in cmd_save
Command(session, registry=registry).run(provider_cmd_text, log=log)
File "C:\Program Files\ChimeraX 1.12\bin\Lib\site-
packages\chimerax\core\commands\cli.py", line 3245, in run
result = ci.function(session, **kw_args)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\Program Files\ChimeraX 1.12\bin\Lib\site-
packages\chimerax\save_command\cmd.py", line 101, in provider_save
saver_info.save(session, path, **provider_kw)
File "C:\Program Files\ChimeraX 1.12\bin\Lib\site-
packages\chimerax\mol2\\__init__.py", line 38, in save
write_mol2(session, path, status=session.logger.status, **kw)
File "C:\Program Files\ChimeraX 1.12\bin\Lib\site-
packages\chimerax\mol2\io.py", line 193, in write_mol2
raise ValueError("Cannot specify both 'models' and 'atoms' keywords")
ValueError: Cannot specify both 'models' and 'atoms' keywords
ValueError: Cannot specify both 'models' and 'atoms' keywords
File "C:\Program Files\ChimeraX 1.12\bin\Lib\site-
packages\chimerax\mol2\io.py", line 193, in write_mol2
raise ValueError("Cannot specify both 'models' and 'atoms' keywords")
See log for complete Python traceback.
> save ligando.mol2 models #1 atoms /A:1401
Traceback (most recent call last):
File "C:\Program Files\ChimeraX 1.12\bin\Lib\site-
packages\chimerax\cmd_line\tool.py", line 322, in execute
cmd.run(cmd_text)
File "C:\Program Files\ChimeraX 1.12\bin\Lib\site-
packages\chimerax\core\commands\cli.py", line 3245, in run
result = ci.function(session, **kw_args)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\Program Files\ChimeraX 1.12\bin\Lib\site-
packages\chimerax\save_command\cmd.py", line 86, in cmd_save
Command(session, registry=registry).run(provider_cmd_text, log=log)
File "C:\Program Files\ChimeraX 1.12\bin\Lib\site-
packages\chimerax\core\commands\cli.py", line 3245, in run
result = ci.function(session, **kw_args)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\Program Files\ChimeraX 1.12\bin\Lib\site-
packages\chimerax\save_command\cmd.py", line 101, in provider_save
saver_info.save(session, path, **provider_kw)
File "C:\Program Files\ChimeraX 1.12\bin\Lib\site-
packages\chimerax\mol2\\__init__.py", line 38, in save
write_mol2(session, path, status=session.logger.status, **kw)
File "C:\Program Files\ChimeraX 1.12\bin\Lib\site-
packages\chimerax\mol2\io.py", line 193, in write_mol2
raise ValueError("Cannot specify both 'models' and 'atoms' keywords")
ValueError: Cannot specify both 'models' and 'atoms' keywords
ValueError: Cannot specify both 'models' and 'atoms' keywords
File "C:\Program Files\ChimeraX 1.12\bin\Lib\site-
packages\chimerax\mol2\io.py", line 193, in write_mol2
raise ValueError("Cannot specify both 'models' and 'atoms' keywords")
See log for complete Python traceback.
> save ligando.mol2 models #1 atoms /A:1401
Traceback (most recent call last):
File "C:\Program Files\ChimeraX 1.12\bin\Lib\site-
packages\chimerax\cmd_line\tool.py", line 322, in execute
cmd.run(cmd_text)
File "C:\Program Files\ChimeraX 1.12\bin\Lib\site-
packages\chimerax\core\commands\cli.py", line 3245, in run
result = ci.function(session, **kw_args)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\Program Files\ChimeraX 1.12\bin\Lib\site-
packages\chimerax\save_command\cmd.py", line 86, in cmd_save
Command(session, registry=registry).run(provider_cmd_text, log=log)
File "C:\Program Files\ChimeraX 1.12\bin\Lib\site-
packages\chimerax\core\commands\cli.py", line 3245, in run
result = ci.function(session, **kw_args)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\Program Files\ChimeraX 1.12\bin\Lib\site-
packages\chimerax\save_command\cmd.py", line 101, in provider_save
saver_info.save(session, path, **provider_kw)
File "C:\Program Files\ChimeraX 1.12\bin\Lib\site-
packages\chimerax\mol2\\__init__.py", line 38, in save
write_mol2(session, path, status=session.logger.status, **kw)
File "C:\Program Files\ChimeraX 1.12\bin\Lib\site-
packages\chimerax\mol2\io.py", line 193, in write_mol2
raise ValueError("Cannot specify both 'models' and 'atoms' keywords")
ValueError: Cannot specify both 'models' and 'atoms' keywords
ValueError: Cannot specify both 'models' and 'atoms' keywords
File "C:\Program Files\ChimeraX 1.12\bin\Lib\site-
packages\chimerax\mol2\io.py", line 193, in write_mol2
raise ValueError("Cannot specify both 'models' and 'atoms' keywords")
See log for complete Python traceback.
> save ligando.mol2 models #1 atoms /A:1401
Traceback (most recent call last):
File "C:\Program Files\ChimeraX 1.12\bin\Lib\site-
packages\chimerax\cmd_line\tool.py", line 322, in execute
cmd.run(cmd_text)
File "C:\Program Files\ChimeraX 1.12\bin\Lib\site-
packages\chimerax\core\commands\cli.py", line 3245, in run
result = ci.function(session, **kw_args)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\Program Files\ChimeraX 1.12\bin\Lib\site-
packages\chimerax\save_command\cmd.py", line 86, in cmd_save
Command(session, registry=registry).run(provider_cmd_text, log=log)
File "C:\Program Files\ChimeraX 1.12\bin\Lib\site-
packages\chimerax\core\commands\cli.py", line 3245, in run
result = ci.function(session, **kw_args)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\Program Files\ChimeraX 1.12\bin\Lib\site-
packages\chimerax\save_command\cmd.py", line 101, in provider_save
saver_info.save(session, path, **provider_kw)
File "C:\Program Files\ChimeraX 1.12\bin\Lib\site-
packages\chimerax\mol2\\__init__.py", line 38, in save
write_mol2(session, path, status=session.logger.status, **kw)
File "C:\Program Files\ChimeraX 1.12\bin\Lib\site-
packages\chimerax\mol2\io.py", line 193, in write_mol2
raise ValueError("Cannot specify both 'models' and 'atoms' keywords")
ValueError: Cannot specify both 'models' and 'atoms' keywords
ValueError: Cannot specify both 'models' and 'atoms' keywords
File "C:\Program Files\ChimeraX 1.12\bin\Lib\site-
packages\chimerax\mol2\io.py", line 193, in write_mol2
raise ValueError("Cannot specify both 'models' and 'atoms' keywords")
See log for complete Python traceback.
OpenGL version: 3.3.0 - Build 31.0.101.4032
OpenGL renderer: Intel(R) UHD Graphics
OpenGL vendor: Intel
Python: 3.11.9
Locale: it_IT.cp1252
Qt version: PyQt6 6.10.2, Qt 6.10.0
Qt runtime version: 6.10.2
Qt platform: windows
Manufacturer: Acer
Model: Aspire A515-57
OS: Microsoft Windows 11 Home (Build 26200.8894)
Memory: 16,869,548,032
MaxProcessMemory: 137,438,953,344
CPU: 12 12th Gen Intel(R) Core(TM) i5-12450H
OSLanguage: it-IT
Installed Packages:
accessible-pygments: 0.0.5
aiohappyeyeballs: 2.6.2
aiohttp: 3.13.4
aiosignal: 1.4.0
alabaster: 1.0.0
annotated-types: 0.7.0
anyio: 4.13.0
appdirs: 1.4.4
asttokens: 3.0.1
attrs: 26.1.0
babel: 2.18.0
beautifulsoup4: 4.13.5
blockdiag: 3.0.0
blosc2: 4.4.3
bs4: 0.0.2
build: 1.3.0
certifi: 2026.5.20
cftime: 1.6.5
charset-normalizer: 3.4.7
ChimeraX-AddCharge: 1.5.20
ChimeraX-AddH: 2.2.8
ChimeraX-AlignmentAlgorithms: 2.0.2
ChimeraX-AlignmentHdrs: 3.6.2
ChimeraX-AlignmentMatrices: 2.1
ChimeraX-Alignments: 3.2
ChimeraX-AlphaFold: 1.0.1
ChimeraX-AltlocExplorer: 1.2
ChimeraX-AmberInfo: 1.0
ChimeraX-Animations: 1.0
ChimeraX-Aniso: 1.3.2
ChimeraX-Arrays: 1.1
ChimeraX-Atomic: 1.67.1
ChimeraX-AtomicLibrary: 14.4
ChimeraX-AtomSearch: 2.0.1
ChimeraX-AxesPlanes: 2.4
ChimeraX-BasicActions: 1.1.3
ChimeraX-BILD: 1.0
ChimeraX-BlastProtein: 3.0.0
ChimeraX-Boltz: 1.1
ChimeraX-BondRot: 2.0.4
ChimeraX-BugReporter: 1.0.2
ChimeraX-BuildStructure: 2.13.1
ChimeraX-Bumps: 1.0
ChimeraX-BundleBuilder: 1.6.0
ChimeraX-ButtonPanel: 1.0.1
ChimeraX-CageBuilder: 1.0.1
ChimeraX-CellPack: 1.0
ChimeraX-Centroids: 1.4.1
ChimeraX-ChangeChains: 1.1
ChimeraX-CheckWaters: 1.5
ChimeraX-ChemGroup: 2.0.2
ChimeraX-Clashes: 2.4
ChimeraX-Cluster: 1.0
ChimeraX-ColorActions: 1.0.5
ChimeraX-ColorGlobe: 1.0
ChimeraX-ColorKey: 1.5.8
ChimeraX-CommandLine: 1.3.1
ChimeraX-ConnectStructure: 2.0.1
ChimeraX-Contacts: 1.0.1
ChimeraX-Core: 1.12
ChimeraX-CoreFormats: 1.2
ChimeraX-coulombic: 1.4.5
ChimeraX-Crosslinks: 1.0
ChimeraX-Crystal: 1.0
ChimeraX-CrystalContacts: 1.0.1
ChimeraX-DataFormats: 1.2.4
ChimeraX-Dicom: 1.2.7
ChimeraX-DistMonitor: 1.4.2
ChimeraX-DockPrep: 1.2.2
ChimeraX-Dssp: 2.0
ChimeraX-EMDB-SFF: 1.0
ChimeraX-ESMFold: 1.0
ChimeraX-FileHistory: 1.0.1
ChimeraX-FunctionKey: 1.0.1
ChimeraX-Geometry: 1.3
ChimeraX-gltf: 1.0
ChimeraX-Graphics: 1.4.1
ChimeraX-Hbonds: 2.5.3
ChimeraX-Help: 1.3
ChimeraX-HKCage: 1.3
ChimeraX-IHM: 1.1
ChimeraX-ImageFormats: 1.2
ChimeraX-IMOD: 1.0
ChimeraX-IO: 1.0.4
ChimeraX-ItemsInspection: 1.0.1
ChimeraX-IUPAC: 1.0
ChimeraX-KVFinder: 1.8.2
ChimeraX-Label: 1.5
ChimeraX-LightingGUI: 1.0
ChimeraX-ListInfo: 1.3.1
ChimeraX-Log: 1.2.2
ChimeraX-LookingGlass: 1.1
ChimeraX-Maestro: 1.9.3
ChimeraX-Map: 1.3
ChimeraX-MapData: 2.0
ChimeraX-MapEraser: 1.0.1
ChimeraX-MapFilter: 2.0.1
ChimeraX-MapFit: 2.0
ChimeraX-MapSeries: 2.1.1
ChimeraX-Markers: 1.0.1
ChimeraX-Mask: 1.0.2
ChimeraX-MatchAlign: 1.2
ChimeraX-MatchMaker: 2.4.1
ChimeraX-MCopy: 1.0
ChimeraX-MCPServer: 0.2.0
ChimeraX-MDcrds: 2.19
ChimeraX-MedicalToolbar: 1.1
ChimeraX-Meeting: 1.0.1
ChimeraX-Minimize: 1.3.9
ChimeraX-MLP: 1.1.1
ChimeraX-mmCIF: 2.16
ChimeraX-MMTF: 2.2
ChimeraX-ModelArchive: 1.0
ChimeraX-Modeller: 1.5.23
ChimeraX-ModelPanel: 1.6.1
ChimeraX-ModelSeries: 1.0.1
ChimeraX-Mol2: 2.0.3
ChimeraX-Mole: 1.0
ChimeraX-Morph: 1.0.2
ChimeraX-MouseModes: 1.2
ChimeraX-Movie: 1.0.1
ChimeraX-MutationScores: 1.0
ChimeraX-Neuron: 1.0
ChimeraX-Nifti: 1.2
ChimeraX-NMRSTAR: 1.0.2
ChimeraX-NRRD: 1.2
ChimeraX-Nucleotides: 2.0.3
ChimeraX-OpenCommand: 1.15.4
ChimeraX-OpenFold: 1.0
ChimeraX-OrthoPick: 1.0.1
ChimeraX-PDB: 2.7.13
ChimeraX-PDBBio: 1.0.1
ChimeraX-PDBLibrary: 1.0.5
ChimeraX-PDBMatrices: 1.0
ChimeraX-PickBlobs: 1.0.1
ChimeraX-Positions: 1.0
ChimeraX-PresetMgr: 1.1.4
ChimeraX-ProfileGrids: 1.6
ChimeraX-PubChem: 2.2
ChimeraX-ReadPbonds: 1.0.1
ChimeraX-Registration: 1.1.2
ChimeraX-RemoteControl: 1.0
ChimeraX-RenderByAttr: 1.8.2
ChimeraX-RenumberResidues: 1.1
ChimeraX-ResidueFit: 1.0.1
ChimeraX-RestServer: 1.3.3
ChimeraX-RNALayout: 1.0
ChimeraX-RotamerLibMgr: 4.0
ChimeraX-RotamerLibsDunbrack: 2.0
ChimeraX-RotamerLibsDynameomics: 2.0
ChimeraX-RotamerLibsRichardson: 2.0
ChimeraX-SaveCommand: 1.5.2
ChimeraX-Scenes: 0.3.1
ChimeraX-SchemeMgr: 1.0
ChimeraX-SDF: 2.0.3
ChimeraX-Segger: 1.0
ChimeraX-Segment: 1.0.1
ChimeraX-Segmentations: 3.5.12
ChimeraX-SelInspector: 1.0
ChimeraX-SeqView: 2.18
ChimeraX-Shape: 1.1
ChimeraX-Shell: 1.0.1
ChimeraX-Shortcuts: 1.2.1
ChimeraX-ShowSequences: 1.0.3
ChimeraX-SideView: 1.0.1
ChimeraX-SimilarStructures: 1.0.1
ChimeraX-Smiles: 2.1.2
ChimeraX-SmoothLines: 1.0
ChimeraX-SNFG: 1.0
ChimeraX-SpaceNavigator: 1.0
ChimeraX-StdCommands: 1.19.3
ChimeraX-STL: 1.0.1
ChimeraX-Storm: 1.0
ChimeraX-StructMeasure: 1.2.1
ChimeraX-Struts: 1.0.1
ChimeraX-Surface: 1.0.1
ChimeraX-SwapAA: 2.0.1
ChimeraX-SwapRes: 2.5.3
ChimeraX-TapeMeasure: 1.0
ChimeraX-TaskManager: 1.0
ChimeraX-Test: 1.0
ChimeraX-Toolbar: 1.2.4
ChimeraX-ToolshedUtils: 1.2.4
ChimeraX-Topography: 1.0
ChimeraX-ToQuest: 1.0
ChimeraX-Tug: 1.0.1
ChimeraX-UI: 1.50.8
ChimeraX-Umap: 1.0
ChimeraX-uniprot: 2.3.2
ChimeraX-UnitCell: 1.0.1
ChimeraX-ViewDock: 1.6.2
ChimeraX-VIPERdb: 1.0
ChimeraX-Vive: 1.1
ChimeraX-VolumeMenu: 1.0.1
ChimeraX-vrml: 1.0
ChimeraX-VTK: 1.0
ChimeraX-WavefrontOBJ: 1.0
ChimeraX-WebCam: 1.0.2
ChimeraX-WebServices: 1.1.5
ChimeraX-Zone: 1.0.1
click: 8.4.1
colorama: 0.4.6
comm: 0.2.3
comtypes: 1.4.11
contourpy: 1.3.3
coverage: 7.14.1
cxservices: 1.2.3
cycler: 0.12.1
Cython: 3.2.4
debugpy: 1.8.21
decorator: 5.3.1
docutils: 0.21.2
executing: 2.2.1
filelock: 3.19.1
fonttools: 4.63.0
frozenlist: 1.8.0
funcparserlib: 2.0.0a0
glfw: 2.10.0
grako: 3.16.5
h11: 0.16.0
h5py: 3.16.0
html2text: 2025.4.15
httpcore: 1.0.9
httpx: 0.28.1
httpx-sse: 0.4.3
idna: 3.18
ihm: 2.2
imagecodecs: 2024.6.1
imagesize: 2.0.0
iniconfig: 2.3.0
ipykernel: 7.1.0
ipython: 9.9.0
ipython_pygments_lexers: 1.1.1
jedi: 0.19.2
Jinja2: 3.1.6
jsonschema: 4.26.0
jsonschema-specifications: 2025.9.1
jupyter_client: 8.8.0
jupyter_core: 5.9.1
kiwisolver: 1.5.0
line_profiler: 5.0.0
lxml: 6.0.2
lz4: 4.3.2
Markdown: 3.8.2
MarkupSafe: 3.0.3
matplotlib: 3.10.7
matplotlib-inline: 0.2.2
mcp: 1.18.0
msgpack: 1.1.1
multidict: 6.7.1
narwhals: 2.22.1
ndindex: 1.10.1
nest-asyncio: 1.6.0
netCDF4: 1.6.5
networkx: 3.3
nibabel: 5.2.0
nptyping: 2.5.0
numexpr: 2.14.1
numpy: 1.26.4
nvidia-nvjitlink-cu12: 12.9.86
OpenMM: 8.4.0
OpenMM-CUDA-12: 8.4.0
openvr: 1.26.701
packaging: 25.0
ParmEd: 4.2.2
parso: 0.8.7
pep517: 0.13.1
pickleshare: 0.7.5
pillow: 11.3.0
pip: 25.2
pkginfo: 1.12.1.2
platformdirs: 4.10.0
plotly: 6.8.0
pluggy: 1.6.0
prompt_toolkit: 3.0.52
propcache: 0.5.2
psutil: 7.0.0
pure_eval: 0.2.3
py-cpuinfo: 9.0.0
pybind11: 3.0.1
pycollada: 0.8
pydantic: 2.13.4
pydantic-settings: 2.14.1
pydantic_core: 2.46.4
pydata-sphinx-theme: 0.18.0
pydicom: 2.4.4
Pygments: 2.18.0
pynmrstar: 3.5.1
pynrrd: 1.0.0
PyOpenGL: 3.1.10
PyOpenGL-accelerate: 3.1.10
pyopenxr: 1.1.4501
pyparsing: 3.3.2
pyproject_hooks: 1.2.0
PyQt6-commercial: 6.10.2
PyQt6-Qt6: 6.10.2
PyQt6-WebEngine-commercial: 6.10.0
PyQt6-WebEngine-Qt6: 6.10.2
PyQt6_sip: 13.10.3
pytest: 9.0.3
pytest-cov: 7.1.0
python-dateutil: 2.9.0.post0
python-dotenv: 1.2.2
python-multipart: 0.0.32
pywin32: 311
pyzmq: 27.1.0
qtconsole: 5.7.0
QtPy: 2.4.3
qtshim: 1.2.2
RandomWords: 0.4.0
referencing: 0.37.0
requests: 2.32.5
roman-numerals: 4.1.0
rpds-py: 2026.5.1
scipy: 1.14.0
setuptools: 80.9.0
sfftk-rw: 0.8.1
six: 1.17.0
snowballstemmer: 3.1.1
sortedcontainers: 2.4.0
soupsieve: 2.8.4
Sphinx: 9.0.4
sphinx-autodoc-typehints: 3.6.1
sphinxcontrib-applehelp: 2.0.0
sphinxcontrib-blockdiag: 3.0.0
sphinxcontrib-devhelp: 2.0.0
sphinxcontrib-htmlhelp: 2.1.0
sphinxcontrib-jsmath: 1.0.1
sphinxcontrib-qthelp: 2.0.0
sphinxcontrib-serializinghtml: 2.0.0
sse-starlette: 3.4.4
stack-data: 0.6.3
starlette: 1.3.0
superqt: 0.7.6
tables: 3.10.2
tcia_utils: 3.2.1
threadpoolctl: 3.6.0
tifffile: 2025.3.13
tinyarray: 1.2.5
tornado: 6.5.7
tqdm: 4.68.2
traitlets: 5.14.3
typing-inspection: 0.4.2
typing_extensions: 4.15.0
tzdata: 2026.2
Unidecode: 1.4.0
urllib3: 2.7.0
uvicorn: 0.49.0
wcwidth: 0.8.1
webcolors: 24.11.1
wheel: 0.45.1
wheel-filename: 1.4.2
WMI: 1.5.1
yarl: 1.24.2
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