David, I also find the "alter" command in pymol very useful for changing pdb files.
You read in a pdb then type: alter my_structure, chain='A' Or remove chain and segid with nothing between the quotes: alter my_structure, chain='' alter my_structure, segid='' Then Save As from the menus. -- Geoffrey A. Mueller, Ph.D. Staff Scientist, NIEHS 919-541-3872 mueller3 at niehs.nih.gov On 10/12/10 11:17 AM, "Charles at schwieters.org" <Charles at schwieters.org> wrote: -----BEGIN PGP SIGNED MESSAGE----- Hash: SHA1 Hello David-- > How do I modify addAtoms.py (eginput/PSF_generation) to operate on a PDB > file with the chainid's set? Is it an option to PDBTools or is it set > when I enter the protein sequence?
