Difference between revisions of "ADFRsuite"
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Latest revision as of 12:30, 12 August 2022
Description
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
Environment Modules
Run module spider ADFRsuite to find out what environment modules are available for this application.
System Variables
- HPC_ADFRSUITE_DIR - installation directory
- HPC_ADFRSUITE_BIN - executable directory
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.