[Open Babel] is there a seed in obabel?

2020-12-02 Thread Antonio Jesús Banegas Luna
Hello, I'm using obabel for converting smiles to 3d mol2 with --gen3D. However, when I run the command on another machine I get a different set of coordinates that make the rest of my script fail. I'd like to obtain always the same coordinates and I was wondering if obabel accepts a seed or

[Open Babel] Installation of openbabel3 with python

2022-06-14 Thread Antonio Jesús Banegas Luna
example: python setup.py build_ext -I/usr/local/include/openbabel3 -L/usr/local/lib python setup.py install FATAL: While performing build: while running engine: exit status 1 Can anyone help me to make my script work? Thanks a lot -- Antonio Jesús Banegas Luna Docente e Investigador *UCAM Unive