Hello Charles, This looks cleaner.
Is the one I posted can do the same thing, even though it is redundant? Thank you very much. Qi ________________________________________ From: Charles Schwieters [[email protected]] Sent: Tuesday, November 29, 2016 11:10 AM To: Hu, Qi, Ph.D. Cc: [email protected] Subject: Re: [Xplor-nih] Atom selection question Hello Qi-- > > I am doing rigid body modeling based on a crystal structure and have a > question > about the atom selection. There are 10 individual chains named A to J. > I wanted to fix all atoms of chain A, B and C, and the backbone of chain D, > residues 50-60. > I am not sure if the following expression would do it. > > ((segid A and resid 1:100) or (segid B and resid 1:100) or (segid C and resid > 1:100)) and (name C* or name O* or name N* or name S* or name H*)) or ((segid > D > and resid 50:60) and (name C or name CA or name N or name O or name HN or name > HA*)) I think you want: """segid A or segid B or segid C or (segid D and resid 50:60 and (name C or name CA or name N or name O or name HN or name HA*))""" best regards-- Charles _______________________________________________ Xplor-nih mailing list [email protected] https://dcb.cit.nih.gov/mailman/listinfo/xplor-nih
