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scoreopt2
Elaine Meng, Brian Shoichet
scoreopt2 is an interactive program for stand-alone scoring of DOCK
output. It is exactly like scoreopt except that the coordinates as well
as scores are written out. Scores and other information are included in REMARK
lines; as in scoreopt, all original REMARK lines are retained in the
final output. If option 1 is selected, the contact score per atom is written in
the temperature factor column. If option 2 or 3 is selected, the point charge
is written in the occupancy column and the electrostatic potential due to the
receptor is written in the temperature factor column. It is useful to have
quantities of interest in the temperature factor column because some molecular
graphics packages can color atoms according to these values.
Curator: Daniel Gschwend, gschwend@cgl.ucsf.edu (rev. 1 September 1995)