- 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...
- // Include Open Babel classes for OBMol and OBConversion
- #include <openbabel/mol.h>
- #include <openbabel/obconversion.h>
- Free. Windows, Mac OS, Linux. ••• Open Babel is a chemical toolbox designed to speak the many languages of chemical data.
- Use open babel to convert most of the chemical formats. How to proceed ? Enter an input value, for example a SMILES like "CCCC" Select the "Input format"...
- Yayın zamanı: 4 saat önce_has_openbabel = find_package("openbabel") if _has_openbabel: from cclib.bridge import makeopenbabel # Open Babel 3.0 and above try
- Click to Follow OpenBabel_org. ... @OpenBabel_org. , it provides a set of functions for handling chemical data (i.e. searching, converting) within.
- For the main Open Babel project, see http://openbabel.org. Open Babel is a chemical toolbox designed to speak the many languages of chemical data.
- Version:3.1.1.1 · 23 May 2020
- License:GNU General Public License (GPL) (GPL-2.0)
pip install openbabel - The latest version of this documentation is available in several formats from http://openbabel.org/docs/dev/.
- www.openbabel.org. Open Babel is computer software, a chemical expert system mainly used to interconvert chemical file formats.[3]. About[edit].
- ↑ 12 http://openbabel.org/docs/2.3.0/FileFormats/Free_Form_Fractional_format.html. ↑ SMILES format (smi, smiles). ↑ InChIKey (inchikey).