[phenixbb] eLBOW generates Mogul geometries
Nigel Moriarty
nwmoriarty at lbl.gov
Fri Dec 23 09:43:51 PST 2011
Folks
For a few weeks now eLBOW has been able to generate Mogul geometries.
If you have CCDC's mogul installed and accessible at the command-line,
eLBOW can request Mogul provide an experimentally accurate geometry.
Simply use the --mogul option at the command-line and eLBOW will query
Mogul for the geometry to use to generate a restraints file and a PDB
file.
Stay tuned for more details in the Computational Crystallography Newsletter.
Happy Holidays, Merry Christmas and Happy New Year
Nigel
--
Nigel W. Moriarty, PhD
Building 64R0246B, Physical Biosciences Division
Lawrence Berkeley National Laboratory
Berkeley, CA 94720-8235
Phone : 510-486-5709 Email : NWMoriarty at LBL.gov
Fax : 510-486-5909 Web : CCI.LBL.gov
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