General discussion

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Topics (1202)
Replies Last Post Views
how to add matrix3x3 data to OBAtom by ivan.petit
2
by shabdaclinic
Tell Us Your Story about You and Your Proteins by creativebiom
0
by creativebiom
problem with open babel install by Yue Qian
1
by David Hall
Using pybel.readstring() and using pybel in Python 2.7 by Quim Aguirre
3
by Fredrik Wallner
Use openbabel conformer search in python by i4hashmi
0
by i4hashmi
open babel source installation - issues by Karim Rafie (PG Rese...
5
by Karim Rafie (PG Rese...
determine in code the pdb atom name of an OBAtom by John Baxter
3
by John Baxter
question regarding smiles string by 宋堃
1
by Pascal Muller-3
Installation issue on python 32bit by Ilenia Giangreco
2
by Ilenia Giangreco
Maximum time exceeded by Jan-Joris Devogelaer
5
by Tim Vandermeersch
OpenBabel for Python 3? by John Todd
11
by i4hashmi
OpenBabel not Working in Python 3.6 by Muhammad Ali Hashmi
2
by Noel O'Boyle
How to Install openbabel for Python 3.6 on macOS Sierra 10.12.3 by i4hashmi
5
by i4hashmi
Abbreviations and syperatoms by Chris Swain
0
by Chris Swain
Orca file coordiniates are different from Chemcraft by Koosha
2
by Koosha
enriching catalog. seeking advice by info system
1
by Geoff Hutchison
Turn off wedge and hash bonds by Samo Lešnik
1
by Noel O'Boyle
issue with cairo support / having problem drawing 2D molecules by xh s
3
by Noel O'Boyle
Error on reading ChemDraw CDX file format by Chong Hak Chae-2
0
by Chong Hak Chae-2
cif to pdb by user_openbabel
3
by Geoff Hutchison
Isomer generator by xh s
2
by Jean-Marc Nuzillard
A question about random seed in openbabel by Sergey Sosnin
0
by Sergey Sosnin
Support information by Kohulan Rajan
3
by Kohulan Rajan
SMARTS question by Gravestock David GBJ...
8
by Noel O'Boyle
distorted rings with obminimize -ff GAFF by Eiso AB-2
3
by David van der Spoel
obfit question by 宋堃
0
by 宋堃
Conformer Search vs. Conformer Generation by kcpearce
6
by kcpearce
rmsd problem by 宋堃
1
by Geoff Hutchison
Maintaining cis/trans after fragmentation by Sam Tonddast-Navaei
11
by Sam Tonddast-Navaei
Batch minimization of ligands by ishan
6
by Dimitri Maziuk
Monte Carlo Conformer Search by kcpearce
0
by kcpearce
Pybel Installation by Om
0
by Om
pybel installation problem on windows (64bits) machine by Julee Adesara
1
by Noel O'Boyle
Re: add hydrogens appropriate for pH by Chris Swain
1
by Geoff Hutchison
Unrealistic qtpie and qeq charges by EARLEY, CLARKE
0
by EARLEY, CLARKE
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