Opened 6 years ago

Last modified 5 years ago

#2310 accepted enhancement

RFE: swapaa option to add hydrogens

Reported by: Tristan Croll Owned by: Eric Pettersen
Priority: moderate Milestone:
Component: Structure Editing Version:
Keywords: Cc: Elaine Meng
Blocked By: Blocking:
Notify when closed: Platform: all
Project: ChimeraX

Description (last modified by Eric Pettersen)

I can see swapaa being *really* useful for a lot of things (e.g. filling in missing sidechains), but it would be great if it had the option to add hydrogens to the new sidechain (and turn it on by default if there are hydrogens in the starting residue?). Alternatively/equivalently an option to restrict addh to a selection of residues, so one could just do e.g. swapaa sel LYS; addh sel (which currently works, but is slow for big models since the addh selection expands to the entire model).

Change History (2)

comment:1 by Eric Pettersen, 6 years ago

Cc: Elaine Meng added
Description: modified (diff)
Status: assigned → accepted

Moved "backrub" request to separate ticket (#2311)

comment:2 by Eric Pettersen, 5 years ago

Would need to insure that certain ancillary operations such as adding OXT were also restricted to the selection.

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