| | 205 | Eric's notes: |
| | 206 | |
| | 207 | == 6/3/2021 == |
| | 208 | |
| | 209 | Phil, Philip, Kristin, Eric, Greg, Scooter, Meghan, Darrell |
| | 210 | |
| | 211 | Greg: metadata from files vs. metadata in models. What can we add to metadata to help? |
| | 212 | |
| | 213 | Phil: number of polygons in GLB output |
| | 214 | |
| | 215 | Greg: could be determined from file. ChimeraX doesn't know ahead of time, would have to generate GLB and count. |
| | 216 | |
| | 217 | Phil: what can you provide that isn't in mmCIF header? |
| | 218 | |
| | 219 | Greg: hierarchy; h-bonds, struts |
| | 220 | |
| | 221 | Phil: metadata may be used in Enduvo import |
| | 222 | |
| | 223 | Greg: each GLB "object" can have a descriptive JSON dictionary associated |
| | 224 | |
| | 225 | Meghan: if structs were labeled, they could be removed before handing to Enduvo |
| | 226 | |
| | 227 | Phil: H-bonds if labeled, could be turned on/off easily |
| | 228 | |
| | 229 | Scooter: time for a prototype; maybe make tags an option |
| | 230 | |
| | 231 | Greg: file size not a real issue if hierarchy only to chains |
| | 232 | |
| | 233 | Phil: are there standards for GLB JSON dictionaries |
| | 234 | |
| | 235 | Greg: ad hoc, though there may be a few well known keys |
| | 236 | |
| | 237 | Phil: ChimeraX GLB group names do show up when in Enduvo. |
| | 238 | |
| | 239 | Greg: Those internal names could be improved. |
| | 240 | |
| | 241 | Meghan: FAIR (reusable) scene depiction in mmCIF (https://journals.iucr.org/d/issues/2021/06/00/qr5004/qr5004.pdf) |
| | 242 | |
| | 243 | Scooter: Don't want each program to make its own "standard". But design by committee is slow. |
| | 244 | |
| | 245 | Darrell: with 3D printed models, people tend to ask "what's the scale"? |
| | 246 | |
| | 247 | Greg: may be able to use UnityMol's PyMOL session reading to read such sessions into ChimeraX(!) |
| | 248 | |
| | 249 | NIH: that would be amazing; users have PyMOL sessions of what they want their structure to look like |
| | 250 | |
| | 251 | Scooter: investigate feasibility -- come back to the PyMOL idea in 4 weeks (R01 renewal) |
| | 252 | |
| | 253 | Greg: perhaps a subset |