ADFRsuite¶
Description¶
AutoDock CrankPep or ADCP is an AutoDock docking engine specialized for docking peptides.
Environment Modules¶
Run module spider adfrsuite to find out what environment modules are available for this application.
Environment Variables¶
- HPC_ADFRSUITE_DIR - installation directory
- HPC_ADFRSUITE_BIN - executable directory
Additional Usage Information¶
ADFRsuite contains everything you need to set up a docking experiment for ligands and peptides.
ADFR v1.2 and associate scripts
AGFR v1.2
AutoSite v1.0 and v1.1
ADCP v1.0: AutoDock CrankPep or ADCP is an AutoDock docking engine specialized for docking peptides.
AutoGrid4.2
prepare_ligand
prepare_receptor
Citation¶
If you publish research that uses ADFRsuite you have to cite it as follows:
Zhang, Y.; Sanner, M. F. Docking flexible cyclic peptides with AutoDock CrankPep, JCTC, submitted.
Categories¶
sequencing, biology