Changes between Version 23 and Version 24 of NTTData

Timestamp:

Jun 17, 2021, 1:50:55 PM (4 years ago)

Author:

Elaine Meng

Comment:

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NTTData

@@ -255 +255 @@
 Phil, Kristin, Philip, Darrell, Yong-Sok Lee (sp?); Tom G, Elaine, Eric, Greg
 
-Tom Goddard mentions potential hiring plans and infrastructure funding opportunities
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-YS 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.
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-Dock 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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+Tom G mentions potential hiring plans and infrastructure funding opportunities.
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+YS Lee's background is in computational chemistry, ligand design, 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.
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+Tom G: what is ETA for dock prep? Eric: Dock 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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+Tom G: Deep SSE Tracer is a machine-learning plugin developed by Jing He. We're interested in developing and interfacing with such machine-learning-related methods. Kristen: some are better than others, certainly. TG: CryoDRGN identifies multiple conformations in EM data. TG: we are also looking at using dimensionality-reduction approaches. In VR can reduce to 3D. Elaine: could think also about animating through time, using colors/sizes as additional dimensions, etc.
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+Kristen: question about exporting glb of an assembly of 6htx, gives an error. "index 1 is out of bounds" TG: it's a bug. Possible workaround is to use "sym" with "copies true" (requires more memory), but we should also fix the bug. The glb file could us instancing, but we are not writing it that way currently. Greg: should write glb with instancing. TG: yes, maybe as an option, but make it the default.
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