[phenixbb] Problem with modified cysteine CME
Kendall Nettles
knettles at scripps.edu
Wed Sep 16 12:55:30 PDT 2009
I am trying to refine a structure with modified cysteines, which refmac recognized as CME just fine. Phenix has CME listed in the mon_lib_list.cif, but the CME.cif file was not in the mon_lib/c/ directory. I added it to the phenix mon_lib/c directory but phenix.refine still complained. I next added the CME.cif file ( copied from ccp4) as a command line input to phenix.refine, and added this to my parameters file:
refinement.pdb_interpretation.apply_cif_modification {
data_mod = CME
residue_selection = chain A and resid 381
residue_selection = chain B and resid 381
residue selection = chain B and resid 530
}
Still no luck.
Thanks for your help,
Kendall
--
Kendall W. Nettles, PhD
Associate Professor
Department of Cancer Biology
The Scripps Research Institute
130 Scripps Way
Jupiter Fl 33458
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