CrossDocker: a tool for performing cross-docking using Autodock Vina
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CrossDocker.exe
README.md
config.txt
dataset.zip
manual.txt
small_dataset.zip
vina.exe
vina_license.rtf

README.md

CrossDocker

Citation:

https://springerplus.springeropen.com/articles/10.1186/s40064-016-1972-4

Shamsara, J. (2016). "CrossDocker: a tool for performing cross-docking using Autodock Vina." SpringerPlus 5(1): 1.

Installing:

The executable was built for windows. There is no need to installation; just extract contents of the CrossDocker.zip archieve in desired directory.

Prerequisites:

Openbabel 2.3 or higher is needed for successful execution of the CrossDocker. By default the babel.exe is in the PATH environment variable. If it is not in the PATH it should be added to it before running Cross-Docker.

Usage:

Set the parameters defined in the config.txt file. Run the CrossDocker.exe file from command line. To test the CrossDocker the small_dataset can be used.