/MolecularFramework

This is the MolecularFramework C/C++ library.

Primary LanguageCGNU General Public License v3.0GPL-3.0

MolecularFramework

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MolecularFramework is a c/c++ cheminformatic 3D modeling library to speed up drug discovery.

Conformer Aligment
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Pharmacophore Superposition VDW Shape Superposition
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Electrostatic Potential
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3D visualizations made using VMD http://www.ks.uiuc.edu/Research/vmd/

Changelog

  • September 2019: First online release
  • December 2012: Starting the development

License

MolecularFramework is distributed under GPLV3 license in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details.

To know more in details how the license work please read the file "LICENSE" or go to "http://www.gnu.org/licenses/lgpl-3.0.html"

MolecularFramewrok is written and maintained by Giuseppe Marco Randazzo grandazzo@gmail.com

Documentation

TODO

Cite/Acknowledgements

Please if you use this for commercial please send me a mail with your logo. If you use for academic research please cite the original GitHub repository.