27 Jun
2009
27 Jun
'09
9:46 p.m.
By the way, I have excessive_distance_limit = None. If I change it to some number, how does it work? the violating residues will be excluded or the whole molecule will?
I'm not sure, Ralf knows this better. Ralf, could you comment on this please?
My guess, that all this parameter does is it checks the distances between atoms in NCS copies and if there is a distance larger than excessive_distance_limit, then phenix.refine stops and tells you this.
Yes, that's correct. The distance check is just to alert you to the problem; it is not trying to be smart about fixing it. You have to do it yourself with the atom selection syntax ("and", "or", "not"). Ralf