Opened 7 years ago

Closed 7 years ago

#1183 closed defect (fixed)

Swapaa adds deprotonated Cys

Reported by: Tristan Croll Owned by: Tom Goddard
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.

Change History (1)

comment:1 by Tom Goddard, 7 years ago

Resolution: fixed
Status: assignedclosed

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.

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