Changes between Version 38 and Version 39 of NIAID2022


Ignore:
Timestamp:
Jan 5, 2023, 1:37:02 PM (3 years ago)
Author:
Elaine Meng
Comment:

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  • NIAID2022

    v38 v39  
    6161== 1/5/2023 ==
    6262
     63Phil, Kristen, Michal, Darrell; Eric, Elaine, TomG, Scooter, Greg, Zach
     64
     65Scooter: 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
     67Kristen: some mmCIFs didn't get their symmetry applied automatically. Eric: ticket #8170, has been fixed.
     68
     69Greg: adding symmetry copies may not work for small-molecule CIF.
     70
     71Phil: 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
    6373== 12/8/2022 ==
    6474