[phenixbb] eLBOW generates Mogul geometries

[Nigel Moriarty]

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