Hi Jason, You should be able to do simple edits to an autobuild.ncs_spec file, for example changing the residues where ncs applies, and it should be read by autobuild. You can check if an ncs_spec file is ok by running it through phenix.find_ncs: phenix.find_ncs my_ncs_spec.ncs_spec should reformat it and write out files for resolve and phenix.refine. If that doesn't help, can you send me before and after ncs_spec files and I'll have a look. All the best, Tom T On Jul 15, 2010, at 7:33 AM, J J wrote:

Hello everyone,

It is easy to manually define NCS group in phenix.refine, but how to manually define it in phenix.autobuild? phenix.simple_ncs_from_pdb will generate an .ncs_spec file which can be used in autobuild, but what if I want to define ncs group myself, say removing some residues from the automatically detected one. I can manually remove them from the .ncs_spec file, but the operations defined in the .ncs_spec is no longer valid? Thanks in advance

Jason

U Pitt _______________________________________________ phenixbb mailing list [email protected] http://phenix-online.org/mailman/listinfo/phenixbb

Thomas C. Terwilliger Mail Stop M888 Los Alamos National Laboratory Los Alamos, NM 87545 Tel: 505-667-0072 email: [email protected] Fax: 505-665-3024 SOLVE web site: http://solve.lanl.gov PHENIX web site: http:www.phenix-online.org ISFI Integrated Center for Structure and Function Innovation web site: http://techcenter.mbi.ucla.edu TB Structural Genomics Consortium web site: http://www.doe-mbi.ucla.edu/TB CBSS Center for Bio-Security Science web site: http://www.lanl.gov/cbss