Changes between Version 1 and Version 2 of 2023-10-19

Timestamp:

Oct 24, 2023, 11:29:26 AM (2 years ago)

Author:

Tom Goddard

Comment:

--

2023-10-19

@@ -12 +12 @@
 = Discussion Notes =
 
+* ChimeraX library license
+  - Looked over LGPL license text Zach added to ChimeraX library source code files.
+  - Everyone thinks it is adequate.
+
+* CZI grant final report
+  - Scooter is writing final report for CZI grant
+  - Have $50K left over and Scooter will ask for no-cost extension.
+
+* Medical imaging collaborator
+  - Charlie Craik mentioned a possible UCSF radiology collaborator Mike Evans for the ChimeraX med imaging.
+
+* Preview web site
+  - Greg suggests disabling (making private?) preview web site.
+  - Too much traffic, possibly due to burst of large language model training scanning the web.
+
+* Metric Ion Classification
+  - Selina presented her work with Mike Keiser's lab to classify ions in cryoEM structures.
+  - Uses atomic model and optionally cryoEM map and identifies type of ion (Na, K, Mg, Zn, water, ...) at given locations.
+  - Used machine learning method called metric classification.
+  - Used LUNA fingerprinting of atoms in concentric shell around putative ion site as input to prediction.
+  - About 80% accuracy.
+  - Takes about a second per site for prediction.  Typical structure might have ~400 sites, so several minutes.
+  - Selina developed confidence scoring method DQD.
+  - Might want to add this as a ChimeraX web service.
+
+
 
 = Action Items =