JANPA package of programs


The aim of the package is to make Natural Population Analysis even more popular by providing
a cross-platform open-source tool for performing this analysis.

The package consists of three programs:

  • Janpa - takes MOLDEN-fompatible file as an input and performs NAO/NPA analysis

  • molden2molden - converts MOLDEN-semi-compatible files produced by particular quantum chemistry packages into MOLDEN-compatible files (in an 'extended' MOLDEN format)

  • nwchem2molden - prepares MOLDEN-compatible files from the results
    of electronic structure calculation done with NwChem


We are continuously working on examples to help users to master the package.

Citation information

T.Yu.Nikolaienko, L.A.Bulavin, D.M.Hovorun; JANPA: an open source cross-platform implementation of the Natural Population Analysis on the Java platform, Computational and Theoretical Chemistry,
(2014), V.1050, P.15-22, DOI: 10.1016/j.comptc.2014.10.002, http://janpa.sourceforge.net*

see License page

System Requirements

see this page for details

Contact information

For any questions, comments or suggestions please contact Dr. Tymofii Nikolaienko
at janpa that-typical-symbol-in-e-mails ukr.net

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