Hi Jianghai,

the defaults implemented for refinement using NCS are very close to those in CNS and works good in most of the cases. I will work on making it straightforward to use the variable weights, so one can use from loose to tight restraints. This is in to-do list.

Currently you can use coordinate_sigma and b_factor_weight parameters (that are specified *outside* the restraint_group scope) to set this weights globally for all groups.

Pavel.

Jianghai Zhu wrote:

Hi,

I am wondering how the NCS weighting in phenix.refine works. I guess the default values (coordinate_sigma = 0.05, b_factor_weight = 10) are pretty tight. What kind values would be appropriate for medium and loose NCS?

Jianghai

+++++++++++++++++++++++++++++++

Jianghai Zhu, Ph.D

CBR Institute for Biomedical Research

Department of Pathology

Harvard Medical School

200 Longwood Ave., Boston, MA 02115

Ph: 617-278-3211

Fx: 618-278-3232

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