General discussion

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Mailing list archive for openbabel-discuss
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Topics (1236)
Replies Last Post Views
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
And fit for fifa 17 coins by fifadelia
0
by fifadelia
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
Unrealistic qeq and qtpie charges by EARLEY, CLARKE
0
by EARLEY, CLARKE
Problem installing Pybel & OpenBabel 2.41. on Windows by RichardMR
2
by Noel O'Boyle
strange behavior with OpenBabel::OBResidueAtomIter with big residue by ivan.petit
0
by ivan.petit
error with complin by Mohammad Goodarzi
9
by Fredrik Wallner
Dear all, QEq partial charge predicts all zero value. Any suggestions ? by peter308
1
by Geoff Hutchison
OBConversion in Open Babel version 2.4.1 by Jördis-Ann Schüler
4
by Geoff Hutchison
g++ can't find "openbabel/obconversion.h" by James Johnson
4
by Dimitri Maziuk
add hydrogens appropriate for pH by Chris Swain
8
by Stefano Forli
Build a pdb molecule. problem to provide the atoms name by ivan.petit
1
by David Hall
MOPAC by Chris Swain
5
by Chris Swain
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