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oldscore
Elaine Meng
oldscore is an interactive program that allows scoring of DOCK output
according to the "old," exponential algorithm (as in version 1.1;
DesJarlais et al., 1988).
The user is interactively asked for the names of the
receptor file, the ligand file, and a file for output, plus the values of
concut, dmin, and discut. There may be many ligands in
the ligand file, as long as each ends with a TER card. Bad contacts are
counted. There are slight differences in the scores directly from DOCK 1.1 and
the scores reported by this program, because the coordinates of ligand
orientations are rounded to three decimal places when written out.
Curator: Daniel Gschwend, gschwend@cgl.ucsf.edu (rev. 1 September 1995)