This is the Linux app named PyRx - Virtual Screening Tool whose latest release can be downloaded as PyRx-0.8-Setup.exe. It can be run online in the free hosting provider OnWorks for workstations.
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SCREENSHOTS:
PyRx - Virtual Screening Tool
DESCRIPTION:
PyRx is a Virtual Screening software for Computational Drug Discovery that can be used to screen libraries of compounds against potential drug targets. PyRx enables Medicinal Chemists to run Virtual Screening from any platform and helps users in every step of this process - from data preparation to job submission and analysis of the results. While it is true that there is no magic button in the drug discovery process, PyRx includes docking wizard with easy-to-use user interface which makes it a valuable tool for Computer-Aided Drug Design. PyRx also includes chemical spreadsheet-like functionality and powerful visualization engine that are essential for Rational Drug Design. Please visits PyRx home page to learn more about PyRx and watch videos on how to use it.
Features
- 3D Viewer
- Virtual Screening
- Computer-Aided Drug Design
- AutoDock 4
- AutoDock Vina
Audience
Healthcare Industry, Science/Research
User interface
wxWidgets
Programming Language
Python
Database Environment
SQLite
Categories
This is an application that can also be fetched from https://sourceforge.net/projects/pyrx/. It has been hosted in OnWorks in order to be run online in an easiest way from one of our free Operative Systems.