Difference between revisions of "ADFRsuite"
Jump to navigation
Jump to search
(Created page with "Category:SoftwareCategory:SequencingCategory:Bioinformatics {|<!--CONFIGURATION: REQUIRED--> |{{#vardefine:app|ADFRsuite}} |{{#vardefine:url|https://ccsb.scripps.e...") |
|||
| Line 1: | Line 1: | ||
| − | [[Category:Software]][[Category: | + | [[Category:Software]][[Category:Biology]] |
{|<!--CONFIGURATION: REQUIRED--> | {|<!--CONFIGURATION: REQUIRED--> | ||
|{{#vardefine:app|ADFRsuite}} | |{{#vardefine:app|ADFRsuite}} | ||
Revision as of 20:48, 11 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.