[phenixbb] NCS weighting

[Pavel Afonine]

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
> +++++++++++++++++++++++++++++++
>
>
>
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