[phenixbb] ligand refinement

[Nigel W. Moriarty]

Cristine

If your PDB file contains the CONECT records bonding the ligand to the 
sulfur when you run (as Pavel said)

% phenix.elbow model.pdb --do-all

you will get a file in the directory which contains the parameter file 
he mentions in point 2.  eLBOW doesn't try if you don't have CONECT 
records but its safer with them.

Nigel

-- 
Nigel W. Moriarty, Ph.D.
Building 64R0246B, Physical Biosciences Division
Lawrence Berkeley National Laboratory
Berkeley, CA 94720-8235
Phone : 510-486-5709
Fax   : 510-486-5909
Email : NWMoriarty at LBL.gov
Web   : CCI.LBL.gov