Hi Mirek, refinement { main { ncs = True } ncs { find_automatically = False restraint_group { reference = chain A and backbone selection = chain B and backbone selection = chain C and backbone selection = chain D and backbone coordinate_sigma = 0.01 b_factor_weight = 50 } restraint_group { reference = chain A and sidechain selection = chain B and sidechain selection = chain C and sidechain selection = chain D and sidechain coordinate_sigma = 0.05 b_factor_weight = 10 } } } where: - "ncs = True" tells phenix.refine to use NCS restraints during refinement; - "find_automatically = False" tells phenix.refine to use the NCS groups definitions that you supplied, otherwise it will either define them automatically from scratch (if nothing is supplied) or adjust user defined selections if necessary; - "coordinate_sigma" defines the strength of coordinate NCS restraints (smaller the coordinate_sigma - stronger the restraints); - "b_factor_weight" defines the strength of B-factor NCS restraints (bigger the b_factor_weight - stronger the restraints). Of course you can be more selective as shown in Maia's example. I will improve phenix.refine manual on this subject. Let me know if you have questions. Pavel. On 2/28/10 10:56 AM, Mirek Cygler wrote:

Hi, I have NCS symmetry in my crystal and wouldlike to use it during the refinement. What is the strength of the restraints for the backbone, for the sidechains? How can I control these restraints? Thanks,

Mirek

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