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Real Space Multigrid based electronic structure code.
News: active RMG development has moved to github https://github.com/RMGDFT
News: V4.1.0 released on 09/29/2020
News: V4.0.0 released on 09/01/2020 with major updates.
News: V3.0.0 released on 06/09/2018 with major updates.
News: V2.2.2 released on 10/14/2017 with minor bug fixes.
News: V2.2 with performance enhancements, bug fixes and new features released on 06/26/2017. Sources are available with binaries to follow soon.
News: V2.1 with many improvements released on...
Open Babel is a chemical toolbox designed to speak the many languages of chemical data. It's an open, collaborative project allowing anyone to search, convert, analyze, or store data from molecular modeling, chemistry, biochemistry, or related areas
An open-source software to convert SDF files into TINKER XYZ files (and viceversa) with automatic assignment of MMFF94 atom types, bond types and charges
WebBabel is a python web application using OpenBabel to convert files
from one format to another.
It runs under Windows, Mac or Linux on your desktop, workstation or laptop.
It uses the Jmol (or Marvin) viewer to show the structures being converted.
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OBExtensions is a extension library for the chemoinformatics library Openbabel.
It provides extensions to Openbabel, being mostly GUI widgets.
OBExtensions has a 2D/3D viewer, 2D coordinates generator and some other extensions.