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
<[log in to unmask]> 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.
