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Open3DQSAR 2.24

Open3DQSAR is a CAD tool for Graphic Apps, by Paolo Tosco. Open3DQSAR is an Open Source application designed for high-throughput chemometric analysis of molecular interaction fields or MIFs.

Publisher:
Paolo Tosco
Language:
Version:
2.24
Run on OS:
Windows All
License:
GPL
Price:
$0
File type:
Unknow
File size:
1.2 MB
Updated on:
Jul 25, 2014
Reviews:
Check Reviews
Rating:
Softmenu rating: 6/10

Open3DQSAR 2.24 Reviews - by Softmenu Editor

It is one of the best CAD software that I have ever used for Graphic Apps.

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Software Description - by Publisher

This software description is given by Paolo Tosco - the software publisher/developer, and almost no changes made by softmenu.

Full Description see below:

Open3DQSAR is an Open Source application designed for high-throughput chemometric analysis of molecular interaction fields or MIFs.

Now, you can use this C written tool for pharmacophore exploration. The application offers seamless integration with OpenBabel, PyMOL, gnuplot.

Open3DQSAR key features:

  • Multi-threaded computation of MIFs (both MM and QM); support for MMFF94 and GAFF force-fields with automated assignment of atom types to the imported molecular structures
  • Comprehensive output, including SDF molecular databases, 3D maps and many different plots to ease immediate evaluation of results in PyMOL, MOE, Maestro, SYBYL and gnuplot
  • User-friendly interface to all major QM packages (e.g. GAUSSIAN, FIREFLY, GAMESS-US, MOLDEN) allows calculation of QM electron density and electrostatic potential 3D maps from within Open3DQSAR
  • User-friendly interface to Molecular Discovery GRID to compute GRID MIFs from within Open3DQSAR

Supported Operating System:

Windows All

Running requirements

Need not extra requirement except the OS environments mentioned above.

Limitations

Please check the license above, if this is a freeware, it will be no limitation, else it may have the days or times limitation, please read the specifications attached with the download file carefully.

Tested virus free - Open3DQSAR has been tested to be a safe software on Jul 25, 2014.

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