| 626 | |
| 627 | == 3/25/2022 == |
| 628 | |
| 629 | Phil, Philip; Elaine, Eric, TomG, Zach, Greg |
| 630 | |
| 631 | Status of SOW? Still being negotiated. Phil: what is highest priority? TomG: We're told it won't start until May 1, so we haven't thought mcuh about it yet. The SOW includes machine learning & !AlphaFold stuff. Phil: everybody's interested in using that now. TomG: shows !AlphaFold "predicted aligned error" (PAE) plot just added to ChimeraX. Google Colab version doesn't use templates, so PAE domain identification is based on residue covariance. PAE plot and interaction with structure in ChimeraX is similar to that available at the !AlphaFold Database, except the ChimeraX one is better if you highlight an off-diagonal box on the plot (shows 2 colors on structure). |
| 632 | |
| 633 | Discussion of importance/predominance of disordered regions in proteins. Phil: simulations don't model these well. |
| 634 | |
| 635 | Phil used to work at Tripos. Elaine: my first modeling work was with SYBYL (from Tripos) on the Evans & Sutherland! Phil: booting up the E & S took forever. |
| 636 | |
| 637 | TomG: I added a tug command to fix up linkers after building a large, complicated protein structure. |
| 638 | |
| 639 | Elaine: figured out how to show time series in 3D Slicer. At least some of the problem was just 3D Slicer version - time series examples files for one version don't work in the other. |
| 640 | |
| 641 | TomG: looked at the NIAID TV-VR experience website, sent feedback to Phil. Phil: here's the URL, public now: https://tbportals.niaid.nih.gov/tb-in-vr |
| 642 | |