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<mailto: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<mailto: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
