[PyMOL] PyDescriptorC* uses PyMOL for molecular descriptor calculation

[Dr. V. M. <vij...@gm...>]

Dear PyMOL users
We are delighted to share that PyDescriptorC*, the new version of
PyDescriptor, is available for the PyMOL community. It uses PyMOL for
molecular descriptor calculation.
Please visit: https://sites.google.com/view/pydescriptorcstar/home
*Salient features:*
1. PyDescriptorC* is developed to compute a total 1,12,194 molecular
descriptors for each molecule.
2. It calculates constitutional, topological, geometric/spatial, circular
fingerprints, quantum chemical, and chirality-specific descriptors.
3. Chirality-aware descriptors: uniquely capture stereochemistry, combining
chirality with electronic, geometric, and topological features.
4. No external dependencies beyond Python and PyMOL.
5. Output: descriptors automatically saved in CSV format.
We hope it will be useful to the broad PyMOL community.
Cheers
Vijay

*Prof. Dr. Vijay H. Masand*
Professor (Full), Department of Chemistry,
Vidya Bharati Mahavidyalaya, Amravati- 444 602
Maharashtra, India.
Phone number- +91-9403312628