IHM Meeting Summary Jan 31 2018

IHM Meeting Summary Jan 31, 2018

Attended by Ben Webb, Tom Goddard and Brinda Vallat

1. IHM-dictionary updates required to handle the NPC

   • IHM_LOCALIZATION_DENSITY_FILES category needs an ordinal id so that multiple asym ids can be referenced from the same file.
   • Spatial restraints derived from experiments can be used as input for modeling or for validation post-modeling. We need to be able to capture this information in the dictionary.

2. Distance restraints from EPR data involves ligands. The dictionary should be able to handle distances with ligands (Issue 55)

3. Long-term planning regarding reducing the complexities involved in handling I/H models is required. ChimeraX currently has many "special case" scenarios that work with demo software but cannot be supported in production. Examples are missing sequence ids for ligands and water molecules in bulk solvent.

4. BPS meeting is February 17-21st in SFO. In person meetings need to be arranged during the visit.

5. The next meeting will be on Thursday, February 8th 2018, at 12:00 PM Eastern time.