Hi Jürgen, it should properly take symmetry into account. I would be very surprised if it doesn't.
Pavel On Sun, Nov 18, 2012 at 9:14 AM, Bosch, Juergen <jubo...@jhsph.edu> wrote: > Hi Pavel, > > does this also work for symmetry related atoms ? > > Jürgen > > ...................... > Jürgen Bosch > Johns Hopkins Bloomberg School of Public Health > Department of Biochemistry & Molecular Biology > Johns Hopkins Malaria Research Institute > 615 North Wolfe Street, W8708 > Baltimore, MD 21205 > Phone: +1-410-614-4742 > Lab: +1-410-614-4894 > Fax: +1-410-955-3655 > http://lupo.jhsph.edu > > On Nov 17, 2012, at 14:26, "Pavel Afonine" <pafon...@gmail.com> wrote: > > Hi Rex, > > as easy as: > > phenix.pdb_atom_selection model.pdb "within(3, chain L and resseq 9 and > name CA)" --write-pdb-file=cut.pdb > > which in the above example selects all atoms within 3 A from CA atom in > chain A of residue number 9, and writes them into cut.pdb file. > > Pavel > > On Sat, Nov 17, 2012 at 12:04 PM, Rex Palmer <rex.pal...@btinternet.com>wrote: > >> I would like to specify a target atom in a pdb file and then isolate all >> atoms within a given distance of the target. The selected atoms are then to >> be placed in a new pdb file. >> Any suggestions please. >> >> Rex Palmer >> http://www.bbk.ac.uk/biology/our-staff/emeritus-staff >> http://rexpalmer2010.homestead.com >> > >
