Changes between Version 28 and Version 29 of NIAID2022


Ignore:
Timestamp:
Nov 10, 2022, 1:44:12 PM (3 years ago)
Author:
Elaine Meng
Comment:

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  • NIAID2022

    v28 v29  
    5959= Meeting Minutes =
    6060
     61== 11/10/2022 ==
     62
     63Phil, Darrell; Eric, Elaine, Greg, TomG, Zach, TomF
     64
     65Darrell: 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
     67Phil: 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
     69Usage 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]:
     70mousemode left "rotate independent"
     71and to put it back to default...
     72mousemode left rotate
     73
     74Phil: did NDuvo people ever get in touch? TomG: no.
     75
     76Eric: 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
     78Eric: Add Charges tool available in today's daily build.
     79
     80Phil: 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
     82Phil: 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
    6184== 10/27/2022 ==
    6285