Open Babel

Open Babel

Open Babel is a cross-platform program and library designed to interconvert between many file formats used all branches of chemistry. Find out more at http://openbabel.org.
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Topics (3490)
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Maintaining cis/trans after fragmentation by Sam Tonddast-Navaei
11
by Sam Tonddast-Navaei
General discussion
Batch minimization of ligands by ishan
6
by Dimitri Maziuk
General discussion
Monte Carlo Conformer Search by kcpearce
0
by kcpearce
General discussion
Pybel Installation by Om
0
by Om
General discussion
pybel installation problem on windows (64bits) machine by Julee Adesara
1
by Noel O'Boyle
General discussion
Re: add hydrogens appropriate for pH by Chris Swain
1
by Geoff Hutchison
General discussion
Unrealistic qtpie and qeq charges by EARLEY, CLARKE
0
by EARLEY, CLARKE
General discussion
Unrealistic qeq and qtpie charges by EARLEY, CLARKE
0
by EARLEY, CLARKE
General discussion
Problem installing Pybel & OpenBabel 2.41. on Windows by RichardMR
2
by Noel O'Boyle
General discussion
strange behavior with OpenBabel::OBResidueAtomIter with big residue by ivan.petit
0
by ivan.petit
General discussion
error with complin by Mohammad Goodarzi
9
by Fredrik Wallner
General discussion
Dear all, QEq partial charge predicts all zero value. Any suggestions ? by peter308
1
by Geoff Hutchison
General discussion
OBConversion in Open Babel version 2.4.1 by Jördis-Ann Schüler
4
by Geoff Hutchison
General discussion
g++ can't find "openbabel/obconversion.h" by James Johnson
4
by Dimitri Maziuk
General discussion
add hydrogens appropriate for pH by Chris Swain
8
by Stefano Forli
General discussion
Build a pdb molecule. problem to provide the atoms name by ivan.petit
1
by David Hall
General discussion
MOPAC by Chris Swain
5
by Chris Swain
General discussion
Problems on InChI to IKnChIkey conversions by Peter Fischer
0
by Peter Fischer
General discussion
CMake error by Luis Fernando Cofas ...
2
by Eiso AB-2
General discussion
OpenMP in a C++ code with Openbabel by Nicolas Cheron
5
by Dimitri Maziuk
General discussion
status of OBDotNet by Dan Field
1
by Geoff Hutchison
General discussion
Compiling OpenBabel 2.4.x - Errors in OBGUI.cpp by John Todd
5
by John Todd
General discussion
Re: Question about openbabel ECFP fingerprint by Geoffrey Hutchison-3
0
by Geoffrey Hutchison-3
openbabel-devel
How to get the hydrogen atom to show in front of the bromine atom by shanghongqiang@gmail...
0
by shanghongqiang@gmail...
General discussion
[Pybel, make3d, .mol] Why is there no "make2D()", and why can't I just "flatten()" a mol file? by T V
3
by Noel O'Boyle
General discussion
FW: Mychem SQL query for Tanimoto function by Martin Morissette
2
by Martin Morissette
General discussion
Problem with Pybel installation for Anaconda by RichardMR
3
by RichardMR
General discussion
Java bindings for openbabel 2.4.0 by Jason Ott
12
by Noel O'Boyle
General discussion
2.4.1 by Geoff Hutchison
2
by mwojcikowski
openbabel-devel
Snap Package for Open Babel by Noel O'Boyle
2
by Noel O'Boyle
General discussion
OB API/ABI changes by Noel O'Boyle
14
by Geoff Hutchison
openbabel-devel
Fwd: InChI Software version 1.05 by Noel O'Boyle
0
by Noel O'Boyle
openbabel-devel
Obminimize by samdani
0
by samdani
General discussion
Neutral element valence electrons? by Patrick Avery
0
by Patrick Avery
General discussion
smi support problem in pybel/openbabel python by Jianshu Hu
4
by Noel O'Boyle
openbabel-scripting
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