Hi James, to add to Paul's reply, I would also try using the weight optimization for B-factors refinement to see how much difference it makes (use "optimize_wxu=true" keyword for this). Since it may take longer (sometime significantly longer) than a regular refinement run, you may want to try it once or as the final refinement step. Pavel. On 8/21/09 8:17 AM, James Whittle wrote:
Dear all,
I'm working with a structure were one NCS copy has significantly high B-factors than the other. That one copy makes few crystal contacts to stabilize it.
Is there a recommended way to adjust the refinement to reflect this ... using TLS? Decreasing b_factor_weight? Is there a way refine a group_b to be added to the b-factor of each atom in that chain?
--James _______________________________________________ phenixbb mailing list [email protected] http://www.phenix-online.org/mailman/listinfo/phenixbb