rDock

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.

Project Activity

See All Activity >

License

GNU Library or Lesser General Public License version 3.0 (LGPLv3)

Follow rDock

rDock Web Site

Other Useful Business Software

Forever Free Full-Stack Observability | Grafana Cloud

Our generous forever free tier includes the full platform, including the AI Assistant, for 3 users with 10k metrics, 50GB logs, and 50GB traces.

Built on open standards like Prometheus and OpenTelemetry, Grafana Cloud includes Kubernetes Monitoring, Application Observability, Incident Response, plus the AI-powered Grafana Assistant. Get started with our generous free tier today.

Create free account

Rate This Project

User Reviews

Be the first to post a review of rDock!

Additional Project Details

Operating Systems

Linux

Intended Audience

Healthcare Industry, Science/Research

User Interface

Console/Terminal

Programming Language

C++

Related Categories

C++ Bio-Informatics Software, C++ Molecular Mechanics Software

Registered

2012-06-06

Similar Business Software

Ascalaph Designer

Ascalaph Designer is a general-purpose program for molecular dynamic simulations. Under a single graphical environment are represented as their own implementation of molecular dynamics as well as the methods of classical and quantum mechanics of popular programs. Molecular geometry optimization...

See Software
MolView

MolView is an intuitive, Open-Source web application to make science and education more awesome! MolView is mainly intended as a web-based data visualization platform. You can use MolView to search through different scientific databases including compound databases, protein databases and...

See Software
YASARA

YASARA is a molecular graphics, modeling, and simulation program for Windows, Linux, MacOS, and Android developed in 1993, that finally makes it really easy to answer your questions. With an intuitive user interface, photorealistic graphics, and support for affordable virtual reality headsets,...

See Software
SYNTHIA Retrosynthesis Software

Expert-coded by chemists and engineered by computer scientists, SYNTHIA™ Retrosynthesis Software enables scientists to quickly find and easily navigate innovative and novel pathways for novel and published target molecules. Quickly and efficiently scan hundreds of pathways to help you...

See Software
OmnibusX

In the world of biological data science, navigating vast and complex datasets can be a daunting task. Our software toolkit is designed to empower you by accelerating analysis, promoting accessibility, and providing comprehensive visualization tools to help you make sense of these intricate...

See Software
ruffus

Ruffus is a computation pipeline library for python. It is open-sourced, powerful and user-friendly, and widely used in science and bioinformatics. Ruffus is designed to allow scientific and other analyses to be automated with the minimum of fuss and the least effort. Suitable for the simplest...

See Software