[Chimera-users] Suggestion for Metal Geometry Feature
waltfast at mail.utexas.edu
Fri May 4 09:53:05 PDT 2007
Hi Elaine (I think!),
I know there is a measure angle feature in Chimera. I have been using this
to define metal ligand geometries in our protein structures (for example,
distinguishing between square pyramidal and trigonal bypramidal geometries).
Maybe if there is enough interest, this could be an automated feature in the
future where a metal ion is selected and then all of the ligands and angles
are automatically displayed along with an assigned geometry.
We've been using the following reference for assigning them.
Just a suggestion!
Walter Fast, Ph.D.
The University of Texas at Austin
College of Pharmacy
The Division of Medicinal Chemistry
Phone: (512) 232-4000
Fax: (512) 232-2606
Lab: (512) 471-5839
Email: WaltFast at mail.utexas.edu
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