3.7 is written in Fortran (and some C); it is an update of DOCK 3.6 with
many improved features. It uses new Flexibase/DB2
files found on ZINC.
If you use DOCK3.7, please cite the following paper: Coleman,
Carchia, Sterling, Irwin and Shoichet. PLOS ONE 2013.
- New mol2
output with full atom typing and bond information
sampling algorithm with better control of sampling
ligand pose output
- Per atom
scoring function breakdowns
clashed conformation generation