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delphiscore
Elaine Meng
delphiscore is an interactive program that does stand-alone
electrostatic scoring of DOCK output (from version 2.1, 3.0, or 3.5, containing
charges) using an electrostatic potential map from Delphi (Klapper et
al., 1986; Gilson, Sharp, and Honig, 1987). The names of the potential map,
the ligand file, and an output file, plus the version of DOCK that produced the
ligand file are requested. There may be many ligands in the input file, as long
as each ends with a TER card. Electrostatic scores are reported in both kT and
kcal/mol.
What's the status on Delphi scoring with DOCK?
Curator: Daniel Gschwend, gschwend@cgl.ucsf.edu (rev. 1 September 1995)