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Open3DQSAR 2.24

A tool that was designed for MIF analysis

If you’ve been in search of a program that’s capable of generating steric potential, electron density, and MM/QM electrostatic magnetic fields – You can stop your search right here because you’ve found all that you’ve been looking for as well as a whole lot more with Open3DQSAR.

Open3DQSAR is an open source program that’s aimed at pharmacophore exploration by high-throughput chemometric analysis of MIFs. With Open3DQSAR at your fingertips, you can quickly generate and challenge the predictability of many different models by using a variety of different training/test set combinations, perform fast, automated PLS chemometric analysis, and more.

If you’re someone that thinks you would benefit from having Open3DQSAR installed on your Windows system, you should definitely download it right now.


- Integrates seamlessly with OpenBabel, PyMOL, COSMOsar3D, TURBOMOLE, FIREFLY, GAMESS-US, GAUSSIAN, MOE, MOLDEN, and the Molecular Discovery GRID.
- A comprehensive output that includes SDF Molecular databases, 3D maps, and other plots to ease immediate evaluation of your results in PyMOL, MOE, Maestro, SYBYL, and gnuplot.
- An interface to all major QM packages.
- Controlled through a command line interface.
- A source code that’s portable and can be compiled under any *NIX platform supporting POSIX threads.
- Completely open source – Can be tailored to meet your own individual needs if you happen to know what you’re doing.
- Allows you to tweak the grid size and the training test/set composition with exceptional ease.
- A user friendly interface that can be navigated by beginners with a little time and patience, but is best suited to someone that’s a little more used to working with the command line than the average person is.
- Support for MMFF94 and GAFF force fields with automated assignment of atom types to the imported molecular structures.

Open3DQSAR Details

  • License:
  • Latest Version:
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  • Updated:
    Jun 20, 2013
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  • File size:
    1.2 Mb
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  • User Rating:
    0 / 5 (0 votes)
  • Editors' Review:
    Not yet reviewed
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