From: | | [log in to unmask][log in to unmask], 7 Mar 2012 07:00:38 -0800668_utf-8 Hello CCP4bb, Firstly, thanks to all for your comments. However, I'm still unsure how to sort all of this riding hydrogen business out. Robbie's comments seem particularly apt: "Because there were some reporting errors in the past (http://proteincrystallography.org/ccp4bb/message18808.html) it is hard to tell from the PDB when refinement with hydrogens became hip." Is there any foolproof way to know if a recently deposited file was refined with riding hydrogens in REFMAC, especially since some such structures do not yet have publications associated with them? How about the value of NON-BONDED CONTACTS OTHERS? If that is other than NULL, does that [...][log in to unmask] |