version 2.0
Brian Shoichet, Dale Bodian, Irwin Kuntz
version 3.0
Elaine Meng, Brian Shoichet, Irwin Kuntz
version 3.5
Mike Connolly, Daniel Gschwend, Andrew Good, Connie Oshiro, Irwin Kuntz
OUTDOCK is created. OUTDOCK
lists the parameters and files used for the calculation, and information on
each molecule examined during a SEARCH run. The ligand output, as described
above and shown in Appendix 1, is based on PDB format. TER cards
separate the orientations, and REMARK cards are used for scores and other
information. In SEARCH mode, the molecules are given unique three-letter
residue names based on their order in the database, starting with AAA. In
SINGLE mode, all orientations retain the residue name given in the input
file.