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