Python interface to the Open Babel chemistry library
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, solid-state materials, biochemistry, or related areas. computational chemistry. This port provides the Python bindings.
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, solid-state materials, biochemistry, or related areas. computational chemistry. This port provides the Python bindings.
To install py310-openbabel2, run the following command in macOS terminal (Applications->Utilities->Terminal)
sudo port install py310-openbabel2
To see what files were installed by py310-openbabel2, run:
port contents py310-openbabel2
To later upgrade py310-openbabel2, run:
sudo port selfupdate && sudo port upgrade py310-openbabel2
Reporting an issue on MacPorts Trac
The MacPorts Project uses a system called Trac to file tickets to report bugs and enhancement requests.
Though anyone may search Trac for tickets, you must have a GitHub account in order to login to Trac to create tickets.