Open Babel - the chemistry toolbox — Open Babel openbabel-3-1 …
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 …
Install Open Babel — Open Babel openbabel-3-1-1 documentation
Open Babel is available as a binary installer for Windows, both 64-bit (preferred) or 32-bit (indicated by x86 in the filename). It includes several command-line tools as well as a …
User Guide — Open Babel openbabel-3-1-1 documentation
User Guide # Open Babel, or how I learned to love the chemistry file format # The latest version of this documentation is available in several formats from http://openbabel.org/docs/
The Open Babel GUI — Open Babel openbabel-3-1-1 …
On Windows, you can find it in the Start Menu in the Open Babel folder; on Linux and MacOSX, the GUI can be started with the obgui command. Since the functionality of the GUI mirrors that …
Convert, Filter and Manipulate Chemical Data - Open Babel
This section focuses on the --filter option, which is very versatile and can select a subset of molecules based either on properties imported with the molecule (as from a SDF file) or from …
Introduction — Open Babel openbabel-3-1-1 documentation
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 …
Frequently Asked Questions — Open Babel openbabel-3-1-1 …
Open Babel is a project designed to pick up where Babel left off, as a cross-platform program and library designed to interconvert between many file formats used in molecular modeling, …
Pybel — Open Babel openbabel-3-1-1 documentation
Pybel provides convenience functions and classes that make it simpler to use the Open Babel libraries from Python, especially for file input/output and for accessing the attributes of atoms …
Supported File Formats and Options - Open Babel
This is, in fact, a key reason for Open Babel’s existence. OpenBabel has support for 146 formats in total. It can read 108 formats and can write 107 formats. These formats are identified by a …
Introduction — Open Babel openbabel-3-1-1 documentation
The Python interface to Open Babel is perhaps the most popular of the several languages that Open Babel supports. We provide two Python modules that can be used to access the …