Opened 4 years ago

Last modified 4 years ago

#6631 accepted enhancement

RFE: matchmaker option for moving only part of a model

Reported by: Elaine Meng Owned by: Eric Pettersen
Priority: moderate Milestone:
Component: Structure Comparison Version:
Keywords: Cc:
Blocked By: Blocking:
Notify when closed: matthias.vorlaender@imp.ac.at Platform: all
Project: ChimeraX

Description

The main use case is that the user only wants to move the residues specified in the matchmaker command. The "align" command has a "move" option with possible values:

atoms – move the specified atoms
residues – move the residues containing the specified atoms
chains – move the chains containing the specified atoms
structures (default unless each is used) – move the models containing the specified atoms by overall rotation/translation (transform the models)
structure atoms – move all atoms in the models by changing their coordinates instead of transforming the overall models
nothing – do not move anything, but report the RMSD as if the atoms had been fitted

For matchmaker, maybe only "move residues/chains/structures" makes sense, where the third one is the current behavior and could remain the default.

Change History (1)

comment:1 by Eric Pettersen, 4 years ago

Status: assigned → accepted
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