Hi Ralf, I see. In this case, one molecule is about 100 amino acids. The structural differences between two molecules is in the level of secondary elements (loops and helix). Though the resolution is low, I would like to see if alt. conf. helps (to know the occupancies of two molecules, not to decrease the R factors). If I can use alt. conf. and NCS at the same time, it will be great. I will try to refine the structure without NCS restraints. Thanks! Su-Chang
Hi Su-Chang,
The error message I got is "Sorry: NCS restraints selections do not produce any pairs of matching atoms".
I've not spent much attention to the combination of alternative conformations and NCS restraints. The reason is that alt. conf. are useful if you have high resolution, and NCS if you have low resolution. If your resolution is sufficiently high to support alt. conf., I figured it should be OK to refine without NCS restraints.
Ralf _______________________________________________ phenixbb mailing list [email protected] http://phenix-online.org/mailman/listinfo/phenixbb