[phenixbb] Extract coordinates from PDB file
Tanner, John J.
TannerJJ at missouri.edu
Wed Jul 29 14:53:20 PDT 2015
grep " CA " file.pdb > ca.pdb
Sent from Jack's iPhone
> On Jul 29, 2015, at 4:15 PM, Pavel Afonine <pafonine at lbl.gov> wrote:
>> I wish to extract xyz coordinates of Calpha atoms from the PDB file of my interest.
>> Is there a program in Phenix or CCP4 for the same?
> some examples:
> - this will select all CA atoms:
> phenix.pdb_atom_selection model.pdb "name CA"
> - this will select CA atoms in chain A and chain B:
> phenix.pdb_atom_selection model.pdb "name CA and (chain A or chain B)"
> - this will select all Carbon atoms:
> phenix.pdb_atom_selection model.pdb "element C"
> - this will select all atoms with alternative conformation id A:
> phenix.pdb_atom_selection model.pdb "altloc A"
> etc etc etc - this can be very detailed and flexible.
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