Opened 7 years ago
Closed 7 years ago
#1183 closed defect (fixed)
Swapaa adds deprotonated Cys
Reported by: | Tristan Croll | Owned by: | Tom Goddard |
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Priority: | moderate | Milestone: | |
Component: | Structure Editing | Version: | |
Keywords: | Cc: | ||
Blocked By: | Blocking: | ||
Notify when closed: | Platform: | all | |
Project: | ChimeraX |
Description
At the moment the cysteine provided by swapaa lacks the HG atom. Valid in some contexts, but the protonated form is much more common.
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Fixed.
I've switched the swapaa mouse mode to use ideal coordinates for the standard amino acids taken from the PDB chemical components dictionary instead of taking them from PDB 5d8v which was missing the cysteine HG atom. Eventually Eric will make an improved swapaa that uses a rotamer library.