[phenixbb] NCS restraints

Maia Cherney chern at ualberta.ca
Sun Feb 28 11:36:31 PST 2010


I know a partial to this question. You want to exclude some residues 
from the ncs refinement.



In the .def file give something like this:

    restraint_group {
      reference = "chain F and (resid 17:300 and not (resid 176 or resid 
179 or resid 238 or resid 242) )"
      selection = "chain E and (resid 17:300 and not (resid 176 or resid 
179 or resid 238 or resid 242) )"
      selection = "chain D and (resid 17:300 and not (resid 176 or resid 
179 or resid 238 or resid 242) )"
      coordinate_sigma = 0.05
      b_factor_weight = 10
    }

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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