Hi Mark, Yes, simple_ncs_from_pdb.ncs_spec is in the right format for autobuild. The .resolve file has the format for direct input to resolve, and as you noted the .ncs is for direct input to phenix.refine. I'm sorry for the lack of clarity! -Tom T
This questions may be best answered by Tom.
Does anyone know how to generate a custom NCS definition file that AutoBuild will read from the refinement format? The parameter is input_ncs_file =
I used phenix.simple_ncs_from_pdb to generate 3 ncs format files. But I could not figure out how to make the program use my definitions. In any case simple_ncs_from_pdb outputs 3 formats in ./phenix/tmp:
simple_ncs_from_pdb.ncs simple_ncs_from_pdb.ncs_spec simple_ncs_from_pdb.resolve
I tried the last one, but it has no residue or chain specification. Should I use the .ncs_spec? The first one is for phenix.refine.
Thanks, Mark _________________________________ Mark A. Saper, Ph.D. Associate Professor of Biological Chemistry University of Michigan
Biophysics, 3040 Chemistry Building 930 N University Ave Ann Arbor MI 48109-1055 U.S.A.
[email protected] phone (734) 764-3353 fax (734) 764-3323 http://www.biochem.med.umich.edu/?q=saper http://www.strucbio.umich.edu/
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