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rDock

A Fast, OpenSource Program for Docking Ligands to Proteins and N.Acids

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Description

rDock is a fast and versatile Open Source docking program that can be used to dock small molecules against proteins and nucleic acids. It is designed for High Throughput Virtual Screening (HTVS) campaigns and Binding Mode prediction studies.
rDock is mainly written in C++ and accessory scripts and programs are written in C++, perl or python languages.
The full rDock software package requires less than 50 MB of hard disk space and it is compilable in all Linux computers.
Thanks to its design and implementation, it can be installed on a computation cluster and deployed on an unlimited number of CPUs, allowing HTVS campaigns to be carried out in a matter of days.

The rDock program was developed from 1998 to 2006 by the software team at RiboTargets (subsequently Vernalis (R&D) Ltd).
In 2006, the software was licensed to the University of York for maintenance and distribution.
In 2012, Vernalis and the University of York agreed to release the program as Open Source software.

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Additional Project Details

Intended Audience

Healthcare Industry, Science/Research

User Interface

Console/Terminal

Programming Language

C++

Registered

2012-06-06

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