22 Feb
2008
22 Feb
'08
4:17 p.m.
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 : [email protected] Web : CCI.LBL.gov