8 May
2012
8 May
'12
2:55 p.m.
On Tue, May 8, 2012 at 7:45 AM, Morten Groftehauge
Okay, brilliant. I had a base go off the rails with B-factor and it's NCS mate got weird positive difference density. So I instantly looked for stuff in the manual to explain it. Like I said it was a stupid question =)
One word of caution: the use of B-factor restraints on NCS-related atoms frequently makes structures much worse - Jeff and I have found lots of examples where chains have nearly identical conformations but wildly different B-factors. So you might want to experiment with setting the NCS B-factor weight to zero. (The reason this isn't the default is a) historical baggage, and b) where appropriate, it does help a little bit with overfitting.) -Nat