Ticket #4206: test.mmcif

File test.mmcif, 9.5 KB (added by goddard@…, 5 years ago)

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1#\#CIF_1.1
2# mmCIF
3data_structure
4#
5_audit_conform.dict_name mmcif_pdbx.dic
6_audit_conform.dict_version 4.007
7_audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic
8#
9_audit_syntax.case_sensitive_flag Y
10_audit_syntax.fixed_width "atom_site atom_site_anisotrop"
11#
12_citation.id chimerax
13_citation.title
14;UCSF ChimeraX: Meeting Modern Challenges in Visualization and Analysis
15;
16
17_citation.journal_abbrev "Protein Sci."
18_citation.journal_volume 27
19_citation.page_first 14
20_citation.page_last 25
21_citation.journal_issue 1
22_citation.year 2018
23_citation.pdbx_database_id_PubMed 28710774
24_citation.pdbx_database_id_DOI 10.1002/pro.3235
25#
26loop_
27_citation_author.citation_id
28_citation_author.name
29_citation_author.ordinal
30chimerax "Goddard TD" 1
31chimerax "Huang CC" 2
32chimerax "Meng EC" 3
33chimerax "Pettersen EF" 4
34chimerax "Couch GS" 5
35chimerax "Morris JH" 6
36chimerax "Ferrin TE" 7
37#
38_software.name "UCSF ChimeraX"
39_software.version 1.2/v9
40_software.location https://www.rbvi.ucsf.edu/chimerax/
41_software.classification "model building"
42_software.os macOS
43_software.type package
44_software.citation_id chimerax
45_software.pdbx_ordinal 1
46#
47_chem_comp.id UNK
48_chem_comp.type non-polymer
49#
50_entity.id 1
51_entity.type non-polymer
52_entity.pdbx_description ?
53#
54_struct_asym.id ""
55_struct_asym.entity_id 1
56#
57loop_
58_atom_type.symbol
59O
60Mg
61Al
62V
63#
64loop_
65_atom_site.group_PDB
66_atom_site.id
67_atom_site.type_symbol
68_atom_site.label_atom_id
69_atom_site.label_alt_id
70_atom_site.label_comp_id
71_atom_site.label_asym_id
72_atom_site.label_entity_id
73_atom_site.label_seq_id
74_atom_site.Cartn_x
75_atom_site.Cartn_y
76_atom_site.Cartn_z
77_atom_site.auth_asym_id
78_atom_site.auth_seq_id
79_atom_site.pdbx_PDB_ins_code
80_atom_site.occupancy
81_atom_site.B_iso_or_equiv
82_atom_site.pdbx_PDB_model_num
83ATOM 1 Al Al . UNK "" 1 . 30.881 23.161 23.161 "" 1 ? 1.00 0.00 1
84ATOM 2 Al Al . UNK "" 1 . 23.161 30.881 23.161 "" 1 ? 1.00 0.00 1
85ATOM 3 Al Al . UNK "" 1 . 15.440 23.161 23.161 "" 1 ? 1.00 0.00 1
86ATOM 4 Al Al . UNK "" 1 . 23.161 23.161 30.881 "" 1 ? 1.00 0.00 1
87ATOM 5 Al Al . UNK "" 1 . 7.720 15.440 7.720 "" 1 ? 1.00 0.00 1
88ATOM 6 Al Al . UNK "" 1 . 7.720 7.720 15.440 "" 1 ? 1.00 0.00 1
89ATOM 7 Al Al . UNK "" 1 . 30.881 30.881 30.881 "" 1 ? 1.00 0.00 1
90ATOM 8 Al Al . UNK "" 1 . 15.468 19.339 19.339 "" 1 ? 1.00 0.00 1
91ATOM 9 Al Al . UNK "" 1 . 23.159 27.019 19.300 "" 1 ? 1.00 0.00 1
92ATOM 10 Al Al . UNK "" 1 . 30.879 19.300 19.300 "" 1 ? 1.00 0.00 1
93ATOM 11 Al Al . UNK "" 1 . 7.722 11.581 3.862 "" 1 ? 1.00 0.00 1
94ATOM 12 Al Al . UNK "" 1 . 7.722 3.862 11.581 "" 1 ? 1.00 0.00 1
95ATOM 13 Al Al . UNK "" 1 . 15.413 11.542 11.542 "" 1 ? 1.00 0.00 1
96ATOM 14 Al Al . UNK "" 1 . 0.002 11.581 11.581 "" 1 ? 1.00 0.00 1
97ATOM 15 Al Al . UNK "" 1 . 23.159 19.300 27.019 "" 1 ? 1.00 0.00 1
98ATOM 16 Al Al . UNK "" 1 . 27.019 23.159 19.300 "" 1 ? 1.00 0.00 1
99ATOM 17 Al Al . UNK "" 1 . 19.300 30.879 19.300 "" 1 ? 1.00 0.00 1
100ATOM 18 Al Al . UNK "" 1 . 11.581 7.722 3.862 "" 1 ? 1.00 0.00 1
101ATOM 19 Al Al . UNK "" 1 . 11.581 0.002 11.581 "" 1 ? 1.00 0.00 1
102ATOM 20 Al Al . UNK "" 1 . 19.300 23.159 27.019 "" 1 ? 1.00 0.00 1
103ATOM 21 Al Al . UNK "" 1 . 3.862 7.722 11.581 "" 1 ? 1.00 0.00 1
104ATOM 22 Al Al . UNK "" 1 . 11.542 15.413 11.542 "" 1 ? 1.00 0.00 1
105ATOM 23 Al Al . UNK "" 1 . 19.339 15.468 19.339 "" 1 ? 1.00 0.00 1
106ATOM 24 Al Al . UNK "" 1 . 19.300 27.019 23.159 "" 1 ? 1.00 0.00 1
107ATOM 25 Al Al . UNK "" 1 . 19.300 19.300 30.879 "" 1 ? 1.00 0.00 1
108ATOM 26 Al Al . UNK "" 1 . 11.581 11.581 0.002 "" 1 ? 1.00 0.00 1
109ATOM 27 Al Al . UNK "" 1 . 11.581 3.862 7.722 "" 1 ? 1.00 0.00 1
110ATOM 28 Al Al . UNK "" 1 . 3.862 11.581 7.722 "" 1 ? 1.00 0.00 1
111ATOM 29 Al Al . UNK "" 1 . 27.019 19.300 23.159 "" 1 ? 1.00 0.00 1
112ATOM 30 Al Al . UNK "" 1 . 11.542 11.542 15.413 "" 1 ? 1.00 0.00 1
113ATOM 31 Al Al . UNK "" 1 . 19.339 19.339 15.468 "" 1 ? 1.00 0.00 1
114ATOM 32 V V . UNK "" 1 . 15.440 15.440 15.440 "" 1 ? 1.00 0.00 1
115ATOM 33 Mg Mg . UNK "" 1 . 13.502 13.502 21.243 "" 1 ? 1.00 0.00 1
116ATOM 34 Mg Mg . UNK "" 1 . 5.791 5.791 5.791 "" 1 ? 1.00 0.00 1
117ATOM 35 Mg Mg . UNK "" 1 . 13.510 13.510 5.791 "" 1 ? 1.00 0.00 1
118ATOM 36 Mg Mg . UNK "" 1 . 13.510 5.791 13.510 "" 1 ? 1.00 0.00 1
119ATOM 37 Mg Mg . UNK "" 1 . 21.243 13.502 13.502 "" 1 ? 1.00 0.00 1
120ATOM 38 Mg Mg . UNK "" 1 . 5.791 13.510 13.510 "" 1 ? 1.00 0.00 1
121ATOM 39 Mg Mg . UNK "" 1 . 13.502 21.243 13.502 "" 1 ? 1.00 0.00 1
122ATOM 40 Mg Mg . UNK "" 1 . 21.251 21.251 21.251 "" 1 ? 1.00 0.00 1
123ATOM 41 Mg Mg . UNK "" 1 . 17.371 17.371 25.090 "" 1 ? 1.00 0.00 1
124ATOM 42 Mg Mg . UNK "" 1 . 9.629 9.629 9.629 "" 1 ? 1.00 0.00 1
125ATOM 43 Mg Mg . UNK "" 1 . 17.379 17.379 9.638 "" 1 ? 1.00 0.00 1
126ATOM 44 Mg Mg . UNK "" 1 . 17.379 9.638 17.379 "" 1 ? 1.00 0.00 1
127ATOM 45 Mg Mg . UNK "" 1 . 25.090 17.371 17.371 "" 1 ? 1.00 0.00 1
128ATOM 46 Mg Mg . UNK "" 1 . 9.638 17.379 17.379 "" 1 ? 1.00 0.00 1
129ATOM 47 Mg Mg . UNK "" 1 . 17.371 25.090 17.371 "" 1 ? 1.00 0.00 1
130ATOM 48 Mg Mg . UNK "" 1 . 25.090 25.090 25.090 "" 1 ? 1.00 0.00 1
131ATOM 49 O O . UNK "" 1 . 11.370 19.075 11.370 "" 1 ? 1.00 0.00 1
132ATOM 50 O O . UNK "" 1 . 3.648 3.648 3.648 "" 1 ? 1.00 0.00 1
133ATOM 51 O O . UNK "" 1 . 11.368 11.368 3.648 "" 1 ? 1.00 0.00 1
134ATOM 52 O O . UNK "" 1 . 11.368 3.648 11.368 "" 1 ? 1.00 0.00 1
135ATOM 53 O O . UNK "" 1 . 19.118 19.118 19.118 "" 1 ? 1.00 0.00 1
136ATOM 54 O O . UNK "" 1 . 19.075 11.370 11.370 "" 1 ? 1.00 0.00 1
137ATOM 55 O O . UNK "" 1 . 3.648 11.368 11.368 "" 1 ? 1.00 0.00 1
138ATOM 56 O O . UNK "" 1 . 11.370 11.370 19.075 "" 1 ? 1.00 0.00 1
139ATOM 57 O O . UNK "" 1 . 11.763 11.763 11.763 "" 1 ? 1.00 0.00 1
140ATOM 58 O O . UNK "" 1 . 19.511 19.511 11.805 "" 1 ? 1.00 0.00 1
141ATOM 59 O O . UNK "" 1 . 19.511 11.805 19.511 "" 1 ? 1.00 0.00 1
142ATOM 60 O O . UNK "" 1 . 27.233 19.513 19.513 "" 1 ? 1.00 0.00 1
143ATOM 61 O O . UNK "" 1 . 11.805 19.511 19.511 "" 1 ? 1.00 0.00 1
144ATOM 62 O O . UNK "" 1 . 19.513 27.233 19.513 "" 1 ? 1.00 0.00 1
145ATOM 63 O O . UNK "" 1 . 19.513 19.513 27.233 "" 1 ? 1.00 0.00 1
146ATOM 64 O O . UNK "" 1 . 27.233 27.233 27.233 "" 1 ? 1.00 0.00 1
147ATOM 65 O O . UNK "" 1 . 11.366 15.655 23.374 "" 1 ? 1.00 0.00 1
148ATOM 66 O O . UNK "" 1 . 3.646 7.931 7.931 "" 1 ? 1.00 0.00 1
149ATOM 67 O O . UNK "" 1 . 11.349 15.652 7.912 "" 1 ? 1.00 0.00 1
150ATOM 68 O O . UNK "" 1 . 11.349 7.912 15.652 "" 1 ? 1.00 0.00 1
151ATOM 69 O O . UNK "" 1 . 19.226 15.706 15.706 "" 1 ? 1.00 0.00 1
152ATOM 70 O O . UNK "" 1 . 3.648 15.653 15.653 "" 1 ? 1.00 0.00 1
153ATOM 71 O O . UNK "" 1 . 11.366 23.374 15.655 "" 1 ? 1.00 0.00 1
154ATOM 72 O O . UNK "" 1 . 19.098 23.379 23.379 "" 1 ? 1.00 0.00 1
155ATOM 73 O O . UNK "" 1 . 19.532 15.229 22.969 "" 1 ? 1.00 0.00 1
156ATOM 74 O O . UNK "" 1 . 11.783 7.502 7.502 "" 1 ? 1.00 0.00 1
157ATOM 75 O O . UNK "" 1 . 19.514 15.226 7.507 "" 1 ? 1.00 0.00 1
158ATOM 76 O O . UNK "" 1 . 19.514 7.507 15.226 "" 1 ? 1.00 0.00 1
159ATOM 77 O O . UNK "" 1 . 27.233 15.228 15.228 "" 1 ? 1.00 0.00 1
160ATOM 78 O O . UNK "" 1 . 11.655 15.174 15.174 "" 1 ? 1.00 0.00 1
161ATOM 79 O O . UNK "" 1 . 19.532 22.969 15.229 "" 1 ? 1.00 0.00 1
162ATOM 80 O O . UNK "" 1 . 27.234 22.950 22.950 "" 1 ? 1.00 0.00 1
163ATOM 81 O O . UNK "" 1 . 15.652 11.349 7.912 "" 1 ? 1.00 0.00 1
164ATOM 82 O O . UNK "" 1 . 7.931 3.646 7.931 "" 1 ? 1.00 0.00 1
165ATOM 83 O O . UNK "" 1 . 15.653 3.648 15.653 "" 1 ? 1.00 0.00 1
166ATOM 84 O O . UNK "" 1 . 23.374 11.366 15.655 "" 1 ? 1.00 0.00 1
167ATOM 85 O O . UNK "" 1 . 7.912 11.349 15.652 "" 1 ? 1.00 0.00 1
168ATOM 86 O O . UNK "" 1 . 15.706 19.226 15.706 "" 1 ? 1.00 0.00 1
169ATOM 87 O O . UNK "" 1 . 15.655 11.366 23.374 "" 1 ? 1.00 0.00 1
170ATOM 88 O O . UNK "" 1 . 23.379 19.098 23.379 "" 1 ? 1.00 0.00 1
171ATOM 89 O O . UNK "" 1 . 15.229 19.532 22.969 "" 1 ? 1.00 0.00 1
172ATOM 90 O O . UNK "" 1 . 7.502 11.783 7.502 "" 1 ? 1.00 0.00 1
173ATOM 91 O O . UNK "" 1 . 15.226 19.514 7.507 "" 1 ? 1.00 0.00 1
174ATOM 92 O O . UNK "" 1 . 15.174 11.655 15.174 "" 1 ? 1.00 0.00 1
175ATOM 93 O O . UNK "" 1 . 22.969 19.532 15.229 "" 1 ? 1.00 0.00 1
176ATOM 94 O O . UNK "" 1 . 7.507 19.514 15.226 "" 1 ? 1.00 0.00 1
177ATOM 95 O O . UNK "" 1 . 15.228 27.233 15.228 "" 1 ? 1.00 0.00 1
178ATOM 96 O O . UNK "" 1 . 22.950 27.234 22.950 "" 1 ? 1.00 0.00 1
179ATOM 97 O O . UNK "" 1 . 15.706 15.706 19.226 "" 1 ? 1.00 0.00 1
180ATOM 98 O O . UNK "" 1 . 7.931 7.931 3.646 "" 1 ? 1.00 0.00 1
181ATOM 99 O O . UNK "" 1 . 15.653 15.653 3.648 "" 1 ? 1.00 0.00 1
182ATOM 100 O O . UNK "" 1 . 15.652 7.912 11.349 "" 1 ? 1.00 0.00 1
183ATOM 101 O O . UNK "" 1 . 23.374 15.655 11.366 "" 1 ? 1.00 0.00 1
184ATOM 102 O O . UNK "" 1 . 7.912 15.652 11.349 "" 1 ? 1.00 0.00 1
185ATOM 103 O O . UNK "" 1 . 15.655 23.374 11.366 "" 1 ? 1.00 0.00 1
186ATOM 104 O O . UNK "" 1 . 23.379 23.379 19.098 "" 1 ? 1.00 0.00 1
187ATOM 105 O O . UNK "" 1 . 15.229 22.969 19.532 "" 1 ? 1.00 0.00 1
188ATOM 106 O O . UNK "" 1 . 7.502 7.502 11.783 "" 1 ? 1.00 0.00 1
189ATOM 107 O O . UNK "" 1 . 15.228 15.228 27.233 "" 1 ? 1.00 0.00 1
190ATOM 108 O O . UNK "" 1 . 22.950 22.950 27.234 "" 1 ? 1.00 0.00 1
191ATOM 109 O O . UNK "" 1 . 15.174 15.174 11.655 "" 1 ? 1.00 0.00 1
192ATOM 110 O O . UNK "" 1 . 15.226 7.507 19.514 "" 1 ? 1.00 0.00 1
193ATOM 111 O O . UNK "" 1 . 22.969 15.229 19.532 "" 1 ? 1.00 0.00 1
194ATOM 112 O O . UNK "" 1 . 7.507 15.226 19.514 "" 1 ? 1.00 0.00 1
195#