ncs resraints: weight-ncs

Balaji Bhyravbhatla balaji at sb.fsu.edu
Fri Nov 24 20:47:32 EST 1995


Dear all,
I have a poor understanding of the weight-ncs flag in ncs restraints
of XPLOR.
If I have understood it correctly the weight-ncs= ### is used to 
restraint the individual groups making up the ncs assembly. Am I 
right? 
But how does it work exactly?  I have a structure with 17 fold ncs
(virus) and am using a weight of 500, because I want to really impose
the 17 fold rotation but at the same time leave a little bit of
flexibility so that if there are any deformations then the MD can
correct it. I do not want to use ncs-strict for that reason. 
So what is a high 'weight'?

Any comments or pointers to reference to papers etc. would be greatly
appreciated and excuse me if I am being very ignorant!!!

You can send me e-mail directly also at 
balaji at sb.fsu.edu

Thanks.

Balaji



More information about the X-plor mailing list