PROGRAMMING LIBRARIES FOR CREATING CUSTOM APPLICATIONS, SCRIPTS, AND WEB SERVICES
There are a wide variety of docking programs available to the community at large; however, until now there have been no resources in existence for individual methods developers to provide a common and well-supported foundation for the development of new docking and scoring applications.
The OEDocking TK from OpenEye is a programming library that provides this core docking and scoring functionality. Coupled with the highly acclaimed cheminformatics functionality in OEChem, the OEDocking TK is a comprehensive solution for anyone seeking to develop new docking tools. The toolkit supports docking, scoring, and optimization with the Chemscore, Chemgauss3, PLP, and Shapegauss scoring functions. The ligand-aware Hybrid Docking functionality unique to OpenEye's FRED docking program as well as the POSIT shape fitting algorithm for pose prediction are also provided in the toolkit. C++, C#, Python, and Java are supported.
For more detailed information on OEDocking TK, check out the link below: