[phenixbb] Elbow and smiles to make CO coordinates
amadrona at uci.edu
Fri Jul 8 11:50:06 PDT 2011
Thanks! Didn't realize it was so easy.
> For getting carbon monoxide coordinates: In coot, go to File > Get
> Type in "CMO" and click OK.
> A carbon monoxide molecule will po up in the middle of the window
> (provided everything is set up correctly).
> If you are trying to fit an electron density, place that density in the
> middle of the window before you retrieve the ligand.
> Hope that helps.
> On Jul 8, 2011, at 1:41 PM, Yarrow Madrona wrote:
>> 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
>> 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
>> it gives me a methyl group. Not sure what is going on. Any help would
>> appreciated. Thank you!
>> Yarrow Madrona
>> Graduate Student
>> Molecular Biology and Biochemistry Dept.
>> University of California, Irvine
>> Natural Sciences I, Rm 2403
>> Irvine, CA 92697
>> phenixbb mailing list
>> phenixbb at phenix-online.org
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> phenixbb at phenix-online.org
Molecular Biology and Biochemistry Dept.
University of California, Irvine
Natural Sciences I, Rm 2403
Irvine, CA 92697
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