Changes between Version 53 and Version 54 of NTTData


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Timestamp:
Sep 23, 2021, 1:45:11 PM (4 years ago)
Author:
Elaine Meng
Comment:

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  • NTTData

    v53 v54  
    348348
    349349Phil has been testing Eric's script on a variety of cases. Macromolecular pipeline (medium size) would like the default-sized ribbons for the nonprinting case, but also thickened ribbons with struts for the printing case.  Small molecules ball-and-stick and CPK are fine for nonprinting, but sticks need to be thickened for the printing case. Few small glitches, one mol2 file failed, will send details. TG: have you tried tube helices? Phil: will take a look. We're not sure how they interact with struts. Other glitches: one virus color-by-chain didn't work, PDB file for zika virus capsid needs to get expanded to whole capsid; will send details. There was also a "volume" command issue but it may be fixed now.
     350
     351When will your new 3D pipeline be publicly available? Phil: we may make a website that's not linked to anything but send people its URL for early access. Maybe early next year.
     352
     353Phil: for visualization purposes, maybe we would be interested in all of an NMR ensemble as opposed to our current approach of using the first model only for everything.
     354
     355Phil: EMDB will be changing their metadata schema. TomG: ChimeraX isn't using it yet anyway. Eric: the 3d pipeline script does use the recommended contour level. TomG: are there other interesting pieces of info? Phil: the corresponding PDB entry. TomG: maybe also resolution.
     356
     357Phil: if you didn't yet, take a look at the stuff we prepared for the H3 Africa workshop.