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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 (3462)
Replies Last Post Views Sub Forum
Replacement of aromatic.txt SMARTS patterns with switch statement by Noel O'Boyle
7
by Noel O'Boyle
openbabel-devel
How to get the list of integers from an ECFP4 fingerprint? by Francois BERENGER-3
0
by Francois BERENGER-3
openbabel-devel
enriching catalog. seeking advice by info system
1
by Geoff Hutchison
General discussion
Turn off wedge and hash bonds by Samo Lešnik
1
by Noel O'Boyle
General discussion
issue with cairo support / having problem drawing 2D molecules by xh s
3
by Noel O'Boyle
General discussion
Error on reading ChemDraw CDX file format by Chong Hak Chae-2
0
by Chong Hak Chae-2
General discussion
cif to pdb by user_openbabel
3
by Geoff Hutchison
General discussion
Isomer generator by xh s
2
by Jean-Marc Nuzillard
General discussion
FASTA File by Joshua Barnett
11
by Geoff Hutchison
openbabel-devel
Compiling OpenBabel with gcc and g++ by Mohammad Ghahremanpo...
1
by Noel O'Boyle
openbabel-devel
A question about random seed in openbabel by Sergey Sosnin
0
by Sergey Sosnin
General discussion
Support information by Kohulan Rajan
3
by Kohulan Rajan
General discussion
SMARTS question by Gravestock David GBJ...
8
by Noel O'Boyle
General discussion
distorted rings with obminimize -ff GAFF by Eiso AB-2
3
by David van der Spoel
General discussion
obfit question by 宋堃
0
by 宋堃
General discussion
Conformer Search vs. Conformer Generation by kcpearce
6
by kcpearce
General discussion
rmsd problem by 宋堃
1
by Geoff Hutchison
General discussion
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
And fit for fifa 17 coins by fifadelia
0
by fifadelia
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
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