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Opened 6 months ago
#17607 assigned enhancement
Include non-main atoms in kvfinder receptor
| Reported by: | Owned by: | Eric Pettersen | |
|---|---|---|---|
| Priority: | moderate | Milestone: | |
| Component: | Surface/Binding Analysis | Version: | |
| Keywords: | Cc: | Elaine Meng | |
| Blocked By: | Blocking: | ||
| Notify when closed: | Platform: | all | |
| Project: | ChimeraX |
Description
I am checking out the new kvfinder tool in ChimeraX. I was wondering if there is some way to prevent it from disregarding heteroatoms in the cavity search (in my eyes, e.g. excluding hemes is not helpful). I tried changing the selection syntax, but I think the pruning is taking place internally in kvfinder.
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