Dear PyMOL Users, It gives me an immense pleasure to inform you that our group has developed a new plugin to calculate 11,145 molecular descriptors for small molecules. This is an attempt to add new dimension to PyMOL. The research article describing 'PyDescriptor' has been published in Chemometrics and Intelligent Laboratory Systems. For more details please refer:
Vijay H. Masand, Vesna Rastija, "PyDescriptor: A new PyMOL plugin for calculating thousands of easily understandable molecular descriptors", Chemometrics and Intelligent Laboratory Systems, 169, (2017), 12–18. I hope it will be useful to a good number of PyMOL users. Cheers Vijay -- Assistant Professor Department of Chemistry, Vidya Bharati College, Amravati, 444 602 Maharashtra, India. Phone number- +91-9403312628 https://sites.google.com/site/vijaymasand/ ------------------------------------------------------------------------------ Check out the vibrant tech community on one of the world's most engaging tech sites, Slashdot.org! http://sdm.link/slashdot _______________________________________________ PyMOL-users mailing list (PyMOL-users@lists.sourceforge.net) Info Page: https://lists.sourceforge.net/lists/listinfo/pymol-users Archives: http://www.mail-archive.com/pymol-users@lists.sourceforge.net
