| | 61 | == 11/10/2022 == |
| | 62 | |
| | 63 | Phil, Darrell; Eric, Elaine, Greg, TomG, Zach, TomF |
| | 64 | |
| | 65 | Darrell: UC Budget office has not yet invoiced us for September or October. TomF: I will contact the office this afternoon and ask for it to be expedited. Darrell: Nada Medani is the contact on our side. |
| | 66 | |
| | 67 | Phil: Kristen and Michal not here, too busy with NIH3D and didn't have any more questions/issues for you at UCSF. Phil: workflow is moving along, we are doing much more testing. |
| | 68 | |
| | 69 | Usage question about ChimeraX from a structural biologist: how to turn on independent rotation? TomG: tile and ~tile automatically turn it on and off. Elaine: or if you don't want to change the current positions [put in chat]: |
| | 70 | mousemode left "rotate independent" |
| | 71 | and to put it back to default... |
| | 72 | mousemode left rotate |
| | 73 | |
| | 74 | Phil: did NDuvo people ever get in touch? TomG: no. |
| | 75 | |
| | 76 | Eric: there was one problem with pipeline hanging on charge calculation for a large "small" molecule. I suggested using Gasteiger instead of AM1-BCC. Phil: I thought the pipeline didn't show molecular surface ESP for small molecules. Eric: Kristen reported the problem, it was from PubChem. Phil: that should be an SDF file and not go through the surface representations. Eric: in that case we wouldn't need to worry about charge/Coulombic calculations for that structure. Darrell, Phil: we will investigate on our end and see whether that structure is going through the correct pipeline or not. |
| | 77 | |
| | 78 | Eric: Add Charges tool available in today's daily build. |
| | 79 | |
| | 80 | Phil: news on 1.5 release? TomG: a few more bugfixes to go, then a couple weeks after that. DICOM stuff, AlphaFold database version 4. |
| | 81 | |
| | 82 | Phil: NIH3D timeline is "friends and family" release in December to get more outside testing, then advertising more broadly a month after that. TomF: which Linux are you running? Greg: was it Ubuntu? Phil: not sure, can ask. |
| | 83 | |