Changes between Version 39 and Version 40 of NIAID2022

Timestamp:

Jan 5, 2023, 2:07:10 PM (3 years ago)

Author:

Elaine Meng

Comment:

--

NIAID2022

@@ -71 +71 @@
 Phil: shows 2D ibuprofen for which several extra bonds appeared. Elaine: often these 2D diagrams are not only flat, but also have really short distances between the atoms, causing extra bonds to be added. Darrell: garbage in, garbage out.  How much effort do we want to put into detecting these 2D chemical diagram cases and warning the user?
 
+Eric: currently there is just an informational message if the approach of removing all bonds and recalculating them back would add too many bonds (in which case it reverts to the original set of bonds). Phil: do we want to expose that message to the end user? Darrell: should go into log and maybe also to user. Elaine: maybe could also say in the message that "some atoms are too close together" or "some atoms are too close too each other".  Eric: I can upgrade this message about backtracking the bonds from an informational message to a warning message.
+
+Scooter: we need to start thinking about the next round of the contract. What would be on your wish list?  
+- continuing support for NIH3D
+- DICOM and segmentation (we now have a collaborator at UCSF)
+- VR and interfaces in VR for DICOM or other applications
+- what else?
+
+Darrell: thanks for bringing this up. Yes we do want to continue, and I like those items.  NIH3D is now officially running and in the public beta stage.  We welcome any feedback you would be willing to give; Kristen can help to set up access. We like to make our pipelines public, put scripts on Github. Is there anything else we can do to share our work relating to ChimeraX? NIAID has its on internal app store, which includes licensed packages, and we would like to add the open source ones like ChimeraX. Can we add a ChimeraX install in our app store without your losing the download statistics? We have an app store for Mac and one for Windows, no Linux. Scooter: should be doable, if there is a simple way that we can make it clear that it cannot be shared to commercial users, and get the download statistics. Darrell: just the latest production release.
+
+Phil: another idea we would like to add is getting a session of ChimeraX that can go to a Quest2 headset that is not connected.
+
+Darrell: another idea is to explore the pedagogical benefits of ChimeraX in VR vs. laptop/desktop. Elaine: our group has not designed/conducted studies. Scooter: Kristen, maybe can use your bioviz lab for this study. What is the metric of comparison? Some kind of understanding or findings from the 3D structure. TomG: there are papers on studies on this topic for biomolecular visualization.  
+
 == 12/8/2022 ==