29 Jul
2015
29 Jul
'15
8:15 p.m.
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