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fixDOCKout
Daniel Gschwend
For multiple-residue ligands (e.g. peptides and proteins) which have
been docked, DOCK unfortunately 1) moves hydrogens and lone pairs from all
residues to the end of the molecule (thus losing residue association) and 2)
loses all residue numbers. These defects make viewing output difficult if not
impossible. fixDOCKout corrects these problems for DOCK output, and
also offers to split input into multiple output files containing a
user-specified number of molecules. This program supports command-line
operation: type fixDOCKout -h for details.
Curator: Daniel Gschwend, gschwend@cgl.ucsf.edu (rev. 1 September 1995)