[phenixbb] Elbow and smiles to make CO coordinates

Yarrow Madrona amadrona at uci.edu
Fri Jul 8 10:41:13 PDT 2011


I am trying to use Elbow and smiles to generate carbon monoxide
coordinates. I thought it would be easy enough. I made two waters in coot
and changed the the oxygens to C and O and set the distance around 1.13
angstrom.  Saved these coordinates as a PDB. I then used this in Elbow but
it gives me a methyl group.  Not sure what is going on. Any help would be
appreciated. Thank you!


Yarrow Madrona

Graduate Student
Molecular Biology and Biochemistry Dept.
University of California, Irvine
Natural Sciences I, Rm 2403
Irvine, CA 92697

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