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 (3555)
Replies Last Post Views Sub Forum
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
Re: [OpenBabel-scripting] smi support problem in pybel/openbabel python by Noel O'Boyle
0
by Noel O'Boyle
General discussion
Conformer generation by samdani
2
by Noel O'Boyle
General discussion
Flattering A-line Sweetheart Short Rhinestone Dress by Everley
1
by nicegarment
General discussion
one for obdepict by Dimitri Maziuk
0
by Dimitri Maziuk
General discussion
ANNOUNCE: Open Babel 2.4.0 Released by Geoffrey Hutchison-3
3
by Giovanni Cincilla
General discussion
Building a molecule ( with SMILES) along a given vector by raindeath
2
by raindeath
General discussion
The applications of human primary cells, anymore? by BettyC
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by BettyC
General discussion
Formal Charge : Convert chem draw cdx file to smi file by 澤田敏彦
0
by 澤田敏彦
General discussion
Fwd: Re: Python bindings version by Noel O'Boyle
0
by Noel O'Boyle
openbabel-devel
Re: OpenBabel-discuss Digest, Vol 124, Issue 14 by Henrique M. Cezar
1
by Noel O'Boyle
General discussion
Open Babel 2.4.0 on Windows by Noel O'Boyle
0
by Noel O'Boyle
General discussion
New Windows User having problems with Openbabel by Stuart
1
by Mixda
General discussion
ANNOUNCE: Open Babel 2.4.0 Released by Geoffrey Hutchison-3
0
by Geoffrey Hutchison-3
openbabel-devel
ANNOUNCE: Open Babel 2.4.0 Released by Geoffrey Hutchison-3
0
by Geoffrey Hutchison-3
openbabel-announce
BUG: Nitrogen chirality by Sam Tonddast-Navaei
2
by Sam Tonddast-Navaei
General discussion
Release candidates for Windows: GUI and Python by Noel O'Boyle
0
by Noel O'Boyle
openbabel-devel
loss of stereochemistry after protonization by Sam Tonddast-Navaei
0
by Sam Tonddast-Navaei
General discussion
install of open babel for pymol under window 10 - BABEL_DATADIR issues?? by Thomas Ryckmans
6
by eolmon
General discussion
possibly a bug in smiles format by NakataMaho
6
by NakataMaho
openbabel-devel
Re: possibly a bug: no spin multiplicity in S, K by NakataMaho
0
by NakataMaho
openbabel-devel
Carbon with 5 bonds by Stefano Forli
0
by Stefano Forli
openbabel-devel
How to enumerate all possible stereoisomers of a molecule with a not defined stereocenter? by Giovanni Cincilla
3
by Giovanni Cincilla
General discussion
Re: error: ?std::tr1? has not been declared using #std::tr1::shared_ptr by Torsten Sachse
0
by Torsten Sachse
General discussion
error: ‘std::tr1’ has not been declared using std::tr1::shared_ptr by riccardo innocenti
0
by riccardo innocenti
General discussion
Implicit copy constructor by Mohammad Mehdi Ghahr...
1
by Geoff Hutchison
openbabel-devel
Converting PDB to SMILES and matching atom orders by Sam Tonddast-Navaei
4
by Sam Tonddast-Navaei
General discussion
tutorials on small molecule energy minimization and substructure searching by Benji Horning
2
by mirix
General discussion
problem with requesting for git pull by Mohammad Mehdi Ghahr...
1
by Noel O'Boyle
openbabel-devel
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