| 63 | Phil, Kristen, Michal, Darrell; Eric, Elaine, TomG, Scooter, Greg, Zach |
| 64 | |
| 65 | Scooter: Any issues with NIH3D? Kristen: Just released beta, only 2 failures left of the 33 we had before - Phil will take a closer look. We may still want some tweaks on what is displayed or its style. Tom and Greg were looking at some weird cases. Tom: it was an mmCIF pdbe_biounit assembly file for 2miv with unusual grouping of the atoms... we suspect it is wrong formatting from them. We have a ChimeraX ticket for this with details. Probably the ChimeraX mmCIF reader should give a warning about this issue, but does not currently. Eric: in ticket #8218, 2jtn pdbe_biounit has the same problem. |
| 66 | |
| 67 | Kristen: some mmCIFs didn't get their symmetry applied automatically. Eric: ticket #8170, has been fixed. |
| 68 | |
| 69 | Greg: adding symmetry copies may not work for small-molecule CIF. |
| 70 | |
| 71 | Phil: shows 2D ibuprofen for which several extra bonds appeared. Elaine: often these 2D diagrams are not only flat, but also have really short distances between the atoms, causing extra bonds to be added. Darrell: garbage in, garbage out. How much effort do we want to put into detecting these 2D chemical diagram cases and warning the user? |
| 72 | |