Thanks a lot.I did download the new -dev249 and did cartesian SA, R goes down to 37 but R-free (50) did not.
Any suggestions?
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From: Ralf W. Grosse-Kunstleve
I do have very low resolution data (around 4 ang), what are the efficient way of doing refinement, either rigid body alone or rigidbody and tls or individual with group_adp. I did both, but not much significant changes in Rfree stays around 48/50%.
You could also try Cartesian or torsion-angle simulated annealing. I'd try both. In my experience Cartesian SA often works better even at low resolution. If you get errors running torsion-angle annealing, please try the latest nightly build (dev-249) since I've fixed several problems since the 1.5-2 release.
Also I do have other questions
1. While doing rigid body refinement, phenix complaint about the special position and could not perform rigid body refinement, whereas individual site refinement is working fine. I do have to delete the atom in special position for rigid body refinement?
You could use sites.rigid_body = ... to select the bodies you want to refine. The rest (including your atom on the special position) will not move. Ralf _______________________________________________ phenixbb mailing list [email protected] http://phenix-online.org/mailman/listinfo/phenixbb