Hi Amit, 1) start phenix.refine GUI; 2) load in your model and data; 3) Under "Refinement settings" click (once or twice, figure out) on "Individual sites". This will pop up the selection window "Selections for individual site refinement". Type in atom selections for atoms that you want to refine (or that you don't want to refine with leading "not"). For atom selection examples see: http://www.phenix-online.org/documentation/refinement.htm#anch82 Please let us know if you have any questions. Pavel. On 6/2/09 4:29 AM, AMIT wrote:
Hi All Is it possible to fix only the coordinates(xyz's) of residues or individual atoms in phenix.refine_gui while refining it for rest of the atoms?
Any suggestions will be helpful.
Thanks in advance Amit.
-- AMIT DAS, PROTEIN CRYSTALLOGRAPHY SECTION, SOLID STATE PHYSICS DIVISION, BARC, TROMBAY, MUMBAI-400085. INDIA. Alt E-mail:[email protected] mailto:E-mail%[email protected] PHONE:+91-22-25594688/4063 FAX:+91-22-25505151 ------------------------------------------------------------------------
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