Open3DQSAR

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Description

Open3DQSAR is an open-source software aimed at high-throughput chemometric analysis of molecular interaction fields.

Availability

Version 2.23. Freely available to users. There are two versions available. The one which uses ATLAS library and the one using Intel MKL.

Licence

GNU/GPL v3.

Use

Initialize environment with command:

module add open3dqsar-atlas

or

module add open3dqsar-intel

Initialization makes available the binary open3dqsar.

Documentation

Dokumentation is available at http://open3dqsar.sourceforge.net/?Description:Usage, or in the program dir: /software/o3dqsar-2.23/doc.

Program manager

meta@cesnet.cz

Homepage

http://open3dqsar.sourceforge.net/