[phenixbb] weight non-bonded contacts during rigid body refinement
Kendall Nettles
knettles at scripps.edu
Thu May 6 11:12:04 PDT 2010
Hi Pavel, I am interested in hearing more. I'd like to do rigid body refinement on a single helix and have it tethered at two locations (the backbone on one end, and a disulfide bond with a sym mate on the other).
Best,
Kendall
On 5/6/10 1:46 PM, "Pavel Afonine" <PAfonine at lbl.gov> wrote:
Hi Kenneth,
short answer: currently, no any restraints are used when you do rigid
body refinement only. There are pros and cons for this. Let me know if
you are interested in a long reply.
Pavel.
On 5/6/10 2:46 AM, Kenneth Verstraete wrote:
> Dear all,
>
> I wonder how I can set the weight for non-bonded contacts to zero to
> prevent clashes during rigid body refinement.
>
> Thank you for your comments.
>
> Kenneth Verstraete
> _______________________________________________
> phenixbb mailing list
> phenixbb at phenix-online.org
> http://phenix-online.org/mailman/listinfo/phenixbb
>
_______________________________________________
phenixbb mailing list
phenixbb at phenix-online.org
http://phenix-online.org/mailman/listinfo/phenixbb
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://phenix-online.org/pipermail/phenixbb/attachments/20100506/63dda38c/attachment-0002.htm>
More information about the phenixbb
mailing list