21 Jun
2007
21 Jun
'07
8:26 p.m.
In phenix.refine we have NCS restraints only. To emulate NCS constraints you can play with weights for NCS term.
There is a limit to what you can do with the weights. It is clearly worth trying different values, but if they are on a vastly different scale compared to the rest of the restraints the structure may get very distorted (because the minimizer only pays attention to the overwhelming restraints). We (will have to) add strict NCS in the future. Ralf