Changes between Version 2 and Version 3 of NTTData


Ignore:
Timestamp:
Apr 22, 2021, 3:14:54 PM (4 years ago)
Author:
Tom Goddard
Comment:

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  • NTTData

    v2 v3  
    33338. Administration (10%)
    3434  a. Submit monthly written reports of accomplishments
     35
     36= Meeting Minutes =
     37
     38== 3/12/2021 ==
     39
     40Phil, Philip, Darrell (2nd half); Elaine, Eric, TomG
     41
     42Problem reported last time with strut disconnection in X3D exports has been fixed by Greg.  Phil will test it.
     43
     44Phil will try viral capsids with both a single combined surface and separate surfaces. Each may be preferred in different situations (e.g. coloring looks better with separate surfaces but they may cause 3D printing problems).
     45
     46Use "graphics triangles" to report the number of triangles for better idea of export file size.
     47
     483D pipeline developers are thinking about parallelization of postprocessing. Multiple outputs for a single user input structure, may need to organize them by purpose (e.g. printing) in the interface or ask the user about purpose and then present the appropriate outputs.
     49
     50We have been adding more GUIs to ChimeraX: volume tools, color key, etc. but still many more to go: dock prep, etc.
     51
     52Phil asks about copy/combine functionality, not yet in ChimeraX. In the case of where the same model is split and then put back together, can instead use ChimeraX mouse mode rotate/translate selected atoms only.
     53
     54Phil and Meghan want to know more about the SPOKE project and its data sources. Elaine will send them some links.
     55
     56Darrell relaying concerns from people at Rocky Mt Lab that our interactions with them and with this NIAID in-house group might conflict (?) We aren't sure what this means.
     57
     58Darrell suggests TomG or bigger ChimeraX team may visit NIH Bethesda for in-person collaboration and training similar to previous Chimera workshop at NIH.
     59
     60Phil wants to try Virtual Desktop wireless VR with Quest 2 to PC with ChimeraX.
     61
     62Next Wed 6 AM Phil will be training new postdoc in Mali to use VR.  TomG can join VR meeting if desired.  Will use Africa RENU VR server.
     63
     64Phil attended VR in Public Health conference this week.  VR will be in doctor's offices soon and has billable codes for insurance.
     65
     66== 3/24/2021 ==
     67
     68Phil, Philip, Darrell; Elaine, Eric, TomG, Greg
     69
     70Any progress on NIH3D pipeline as pertains to ChimeraX?
     71- Philip has incorporated the chimeraX unified py file into the workflow, says ChimeraX download from UCSF is slow. Error codes 64 (faulty usage) and 70 (internal software error) plus "expect trouble" (using gui. To avoid this, need to use nogui mode via --offscreen startup flag) 
     72- Script calls sys.exit. Greg says zero/nonzero should be all you see, must be something with your workflow, and nonzero = error.
     73- NIH3D pipeline will be using cloud computing, currently not using systems with graphics hardware.
     74- offscreen rendering is currently slower, uses CPU rather than GPU. Can OSMESA use multiple CPU threads? Greg and possibly others will look into it.
     75- ambient lighting is slower, script already does size-dependent lighting
     76- Scooter: next step could be performance testing. Darrell's seen very slow examples with Chimera. Philip: let's try with ChimeraX, could well be different. Scooter: should try those specific examples, Phil will try to find them in the logs.
     77
     78Did you want to know anything else about SPOKE?
     79- Phil: it was related to meeting with NASA re drug discovery to treat radiation effects
     80- NASA folks are combining lots of data types related to radiation effects (e.g. from exposure in space, nuclear accidents, etc.), including CT
     81
     82VR stuff
     83- Phil reports problematic ChimeraX VR meeting with Mali last week; may have been internet connectivity to name server.
     84- TomG encourages use of "report a bug" and looping him in to meetings, in case he could help.
     85- Darrell: latency to Uganda was measured at ~350 milliseconds.
     86- Phil: how best to specify meeting proxy server?  TomG: use Access menu in the Options of the GUI, but you have to use a command (meeting access?  meeting settings?) to add a new server to the menu.
     87- TomG and Willan made a 60 minute long two-person VR video.
     88- we added a new ChimeraX videos page, includes some VR
     89- Video tutorials can play in ChimeraX help browser, at least on Mac, tested by Elaine.
     90
     91== 4/8/2021 ==
     92
     93Phil, Philip, Meghan; Elaine, Eric, TomG, Scooter
     94
     95Meghan: we've talked with an AR/VR group ([http://imisi3d.com/ imisi3d.com]) in Nigeria. They have downloaded and tried ChimeraX, and will do a remote meeting with NIAID folks, who will show them medical image data.
     96
     97Phil: I have a collaboration with an investigator here to examine how two protein structures might interact, VR really helps with maintaining multiple constraints simultaneously. Also used HADDOCK protein-protein docking. Now have a compelling model of how hemoglobin and eNOS might fit together, will help guide peptide competition experiments. Steven Brooks et al., manuscript is in medarchive, will be submitted to Circulation.
     98
     99Discussion of vaccines for influenza and covid-19 made by fusing viral proteins or their fragments to ferritin.
     100
     101They have showed ChimeraX VR to "new guy" Wilbert van P and deputy director Jill Harper.
     102
     103Tom G: would like to make a video showing multiperson AR/VR on SARS-CoV2 spike mutant(s). Would be great if Fauci could do it! Meghan: or get Fauci to do voiceover. Have been discussing similar with Barney (?)
     104
     105ChimeraX 1.2 release is slated for end of month.
     106
     107Tom G: will be working with Rodgers in Uganda to solve Mali VR meeting connection issues.  SLAC also has firewall connection issues.
     108
     109== 4/22/2021 ==
     110
     111Meghan, Philip, Darrell; Eric, TomG, Greg, Scooter
     112
     113Network security
     114- Discussion of network breaches effecting NIH and UCSF.
     115
     116NIH 3D giving users time estimates
     117- Good for users to know if job will takes 1 minute or 30 minutes
     118- Philip says another project (nefali?) output progress log, but no time estimates
     119- Tom says useful to get percent complete estimates for longest running step
     120
     121X3D ChimeraX including meta data
     122- Greg Couch asked about including per-residue meta-data in X3D
     123- Meghan says want meta data for data attribution in GLB
     124
     125Barney's covid-19 Chimera session file
     126- Meghan trying to use Chimera on spike model, Chimera session from Phil Cruz (on vacation), to help Barney (virus researcher)
     127- Chimera molecular surfaces failed on Windows
     128- Did not find a way to get it into ChimeraX.
     129
     130Web 3D viewers
     131- For fastest 3d model network transmission, DRACO algorithm/format useful.
     132- Kristen Browne is working on a few 3D web viewers and should give a demo.
     133- Babylon.js web viewer, can drag and drop GLTF files for testing.