On 10/06/2022 10:32, Quentin Delobelle wrote:
Hello,
I am a French doctorate student in my second year of thesis and I had
some question regarding some problem for the installation of Openbabel
in Python.
I work on molecular dynamics in the Laboratory of Theoretical
Chemistry run by Pr. Jean-Philip PIQUEMAL and would like to install
Openbabel for its utilisation in the Poltype software
(https://biomol.bme.utexas.edu/tinkergpu/index.php/Poltype:Poltype#POLTYPE_1.14).
I would need some precision of the installation of Openbabel with
Python :
* Is it possible to configure the installation of Openbabel 2.3.0
(the one needed for poltype) with Python 3.7, and if not what version
of Openbabel and/or Python would you recommend ? (I linked a test of
Poltype when we tried to use Openbabel 3.1 in python 3.7 but it was
incompatible).
*
* How would you install Openbabel with Python bindings ?
On some Linux distributions, it is as simple as:
$ sudo apt install openbabel python3-openbabel
Thank you for your attention.
DELOBELLE Quentin
06.10.12.34.01
quentin3e...@hotmail.fr
Doctorant 2ème année ED394
Equipe Biologie et Thérapeutiques du cancer
Centre de Recherche Saint-Antoine - Bâtiment Kourilsky, 8ème étage
Laboratoire de Chimie Théorique
Barre 12-13 - Campus Pierre et Marie Curie - Sorbonne Université
Envoyé à partir d’Outlook [1]
Links:
------
[1] http://aka.ms/weboutlook
_______________________________________________
OpenBabel-discuss mailing list
OpenBabel-discuss@lists.sourceforge.net
https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
_______________________________________________
OpenBabel-discuss mailing list
OpenBabel-discuss@lists.sourceforge.net
https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
