Unfortunately, this is not a simple task. There are actually several layers of heuristics beyond the referenced procedures, mainly to handle small segments and chain identifiers, so the results may not be as clean as one would expect. Also, we would then have to come up with some sort of naming/attribute scheme so that different parts can be referenced. This may fall more in the ChimeraX realm at this point. Sorry.
Conrad
On 12/18/2015 1:06 PM, Oliver Clarke wrote:
Cheers, Oliver. _______________________________________________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.
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