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Dear all, I am looking for a way to fix atom positions. This is the problem: I have inhibitor stuctures with A (solvent molecules) or B (first part of an inhibitor). If I refine the structure with nothing in the active site and then manually add A and B in appropriate occupancies, I can see C (second part of the inhibitor) in the FoFc density. To refine A, B, and C, the data are not good enough. Can I fix some parts of the active site and only refine others in refmac? Or do I have to switch to shelx for a task like that? Greetings Gottfried Dr. Gottfried Palm Ernst-Moritz-Arndt-Universität Inst. für Chemie und Biochemie Abt. Biochemie I Soldmannstr. 16 17489 Greifswald Germany Tel. +49(03834)-515246 Fax. +49(03834)-864373 email [EMAIL PROTECTED] =================================================================== WEB-Mailer der Uni-Greifswald ( http://www.uni-greifswald.de/ ) ===================================================================
