[phenixbb] Extract coordinates from PDB file
Pavel Afonine
pafonine at lbl.gov
Wed Jul 29 13:15:36 PDT 2015
Hi,
> 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.
Pavel
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