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 (3583)
Replies Last Post Views Sub Forum
A question about random seed in openbabel by Sergey Sosnin
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by Sergey Sosnin
General discussion
Support information by Kohulan Rajan
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by Kohulan Rajan
General discussion
SMARTS question by Gravestock David GBJ...
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by Noel O'Boyle
General discussion
distorted rings with obminimize -ff GAFF by Eiso AB-2
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by David van der Spoel
General discussion
obfit question by 宋堃
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by 宋堃
General discussion
Conformer Search vs. Conformer Generation by kcpearce
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by kcpearce
General discussion
rmsd problem by 宋堃
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by Geoff Hutchison
General discussion
Maintaining cis/trans after fragmentation by Sam Tonddast-Navaei
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by Sam Tonddast-Navaei
General discussion
Batch minimization of ligands by ishan
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by Dimitri Maziuk
General discussion
Monte Carlo Conformer Search by kcpearce
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by kcpearce
General discussion
Pybel Installation by Om
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by Om
General discussion
pybel installation problem on windows (64bits) machine by Julee Adesara
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by Noel O'Boyle
General discussion
And fit for fifa 17 coins by fifadelia
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by fifadelia
General discussion
Re: add hydrogens appropriate for pH by Chris Swain
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by Geoff Hutchison
General discussion
Unrealistic qtpie and qeq charges by EARLEY, CLARKE
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by EARLEY, CLARKE
General discussion
Unrealistic qeq and qtpie charges by EARLEY, CLARKE
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by EARLEY, CLARKE
General discussion
Problem installing Pybel & OpenBabel 2.41. on Windows by RichardMR
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by Noel O'Boyle
General discussion
strange behavior with OpenBabel::OBResidueAtomIter with big residue by ivan.petit
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by ivan.petit
General discussion
error with complin by Mohammad Goodarzi
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by Fredrik Wallner
General discussion
Dear all, QEq partial charge predicts all zero value. Any suggestions ? by peter308
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by Geoff Hutchison
General discussion
OBConversion in Open Babel version 2.4.1 by Jördis-Ann Schüler
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by Geoff Hutchison
General discussion
g++ can't find "openbabel/obconversion.h" by James Johnson
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by Dimitri Maziuk
General discussion
add hydrogens appropriate for pH by Chris Swain
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by Stefano Forli
General discussion
Build a pdb molecule. problem to provide the atoms name by ivan.petit
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by David Hall
General discussion
MOPAC by Chris Swain
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by Chris Swain
General discussion
Problems on InChI to IKnChIkey conversions by Peter Fischer
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by Peter Fischer
General discussion
CMake error by Luis Fernando Cofas ...
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by Eiso AB-2
General discussion
OpenMP in a C++ code with Openbabel by Nicolas Cheron
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by Dimitri Maziuk
General discussion
status of OBDotNet by Dan Field
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by Geoff Hutchison
General discussion
Compiling OpenBabel 2.4.x - Errors in OBGUI.cpp by John Todd
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by John Todd
General discussion
Re: Question about openbabel ECFP fingerprint by Geoffrey Hutchison-3
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by Geoffrey Hutchison-3
openbabel-devel
How to get the hydrogen atom to show in front of the bromine atom by shanghongqiang@gmail...
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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
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by Noel O'Boyle
General discussion
FW: Mychem SQL query for Tanimoto function by Martin Morissette
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by Martin Morissette
General discussion
Problem with Pybel installation for Anaconda by RichardMR
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by RichardMR
General discussion
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