pdb2psf

Generates a psf file from the given pdb file. The psf file is written to a filename derived the input filename. Usage: pdb2psf <pdbFile>

options are:

-disulfide_bond sel1 sel2 - specify residues with disulfide bonds.
-selection <sel>          - specify a subselection of the full PSF
                            to convert. Defaults to all atoms.
-topology type file       - specify alternate topology file for
                            the specified seqeunce type. Type is either
                            protein or nucleic, while file can be path,
                            or an entry in the toppar directory.
-outfile name   - name of generated psf file. The default is to use
                  the input filename with a ``.psf'' suffix.
-delUnknown     - to delete the unknown atoms from
                  the PDB file before the psf file is been written.
                  The option is off if not specified.

Additional common options