[phenixbb] eLBOW generates Mogul geometries
nwmoriarty at lbl.gov
Fri Dec 23 09:43:51 PST 2011
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
Stay tuned for more details in the Computational Crystallography Newsletter.
Happy Holidays, Merry Christmas and Happy New Year
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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