[Chimera-users] Identify hinges and rigid groups using Morph Conformations?

Tom Goddard goddard at sonic.net
Wed Dec 30 11:29:26 PST 2015


Hi Oliver,

  This could be done.  Maybe the atoms of each region identified by the morph algorithm could be assigned an attribute like “morph_group” which would be an integer.  It wouldn’t be too convenient to use these but you can specify sets of atoms with a specific attribute value.  Maybe the morph command itself could be given an option to color each group.  In any case, this would only be done in ChimeraX, not Chimera, and we don’t have morphing in ChimeraX yet.  I’ve put a feature request in our ChimeraX database for this.

	Tom


> On Dec 18, 2015, at 1:06 PM, Oliver Clarke  wrote:
> 
> Hi,
> 
> I gather from reading the documentation for “Morph Conformations” (https://www.cgl.ucsf.edu/chimera/docs/ContributedSoftware/morph/morph.html) that Chimera identifies hinge regions and rigid groups as part of the procedure (as per http://nar.oxfordjournals.org/content/28/8/1665.long). 
> 
> Would it be possible to expose these to the user (or maybe this is already possible?), such that one can color/label the hinges and rigid entities as desired? This would be helpful for visual simplification of complex conformational changes.
> 
> Cheers,
> Oliver.
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