Re: [phenixbb] Extract coordinates from PDB file

grep " CA " file.pdb > ca.pdb Sent from Jack's iPhone

On Jul 29, 2015, at 4:15 PM, Pavel Afonine wrote:

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 _______________________________________________ phenixbb mailing list [email protected] http://phenix-online.org/mailman/listinfo/phenixbb Unsubscribe: [email protected]