Changes between Version 22 and Version 23 of NTTData


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Timestamp:
Jun 17, 2021, 1:26:02 PM (4 years ago)
Author:
Elaine Meng
Comment:

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  • NTTData

    v22 v23  
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    251251Greg: perhaps a subset
     252
     253== 6/17/2021 ==
     254
     255Phil, Kristin, Philip, Darrell, Yong-Sok Lee (sp?); Tom G, Elaine, Eric, Greg
     256
     257Tom Goddard mentions potential hiring plans and infrastructure funding opportunities
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     259YS Lee's background is in computational chemistry, QM, reaction mechanisms, may be interested in interfacing ChimeraX to GAMESS.  Elaine mentioned the SEQCROW plugin to ChimeraX, Eric shared links to plugin and paper.
     260
     261Dock Prep pieces (addh, charge calculations for nonstandard residues, swapaa to fix sidechains, altloc management)are available in ChimeraX but a lot of coding is needed to assemble them fully and create UI.
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