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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 (3163)
Replies Last Post Views Sub Forum
CIF file to xyz without broken ends by mohan
0
by mohan
openbabel-devel
Necessary steps before minimization by adel
1
by susanrey
General discussion
atom types force field by Osvaldo Martin-2
2
by Osvaldo Martin-2
General discussion
HBA1 calculation and L5 filtering in babel program by duanbaogen
0
by duanbaogen
General discussion
Re: [Avogadro-Discuss] Question about CAS numbers by Geoffrey Hutchison-3
1
by Craig James-2
General discussion
git version of OB broken? by David van der Spoel
6
by David van der Spoel
openbabel-devel
Re: OpenBabel-Devel Digest, Vol 107, Issue 2 by David Koes
0
by David Koes
openbabel-devel
pull request problem by David van der Spoel
0
by David van der Spoel
openbabel-devel
Comparison of ten kinds of raymond mill with superb performance by dongfang
0
by dongfang
openbabel-devel
approved.sdf by Fabian Glaser
0
by Fabian Glaser
General discussion
Building manual page by David van der Spoel
0
by David van der Spoel
openbabel-devel
Atom types depend on the input file format by Nicolas Cheron
2
by Nicolas Cheron
General discussion
Intramolecular Hydrogen bond detection by scott_m
1
by annndrey
General discussion
Build problems on CentOS cluster by Eric Smoll
1
by Jeff Janes
General discussion
Partial charge on OSX system by Guoyi Li
3
by David Hall
General discussion
dll-files by Magnus Norrby
1
by Igor Filippov
General discussion
Multiple files conversion by AE
5
by Dimitri Maziuk
General discussion
GAFF in Open Babel by Nicolas Cheron
4
by Geoff Hutchison
General discussion
How to test the cone crusher? by aggregatecrushing
0
by aggregatecrushing
openbabel-devel
Filter PDB with COMPND Identifier by Jack Shultz-2
7
by Smithk795
SVG "3D" depictions and BountySource by Geoff Hutchison
0
by Geoff Hutchison
openbabel-devel
Can't initialize function 'match_substruct'; The second argument is null when to execute match_substruct() function in mychem.0.9.2 by duanbaogen
1
by Fredrik Wallner
General discussion
Re: [openbabel] OBConversion improvements (#191) by David Koes
0
by David Koes
openbabel-devel
Fwd: [openbabel] OBConversion improvements (#191) by Geoffrey Hutchison-3
3
by Noel O'Boyle
openbabel-devel
Does a identical molecule has the same fingerprint when generating fingerprint FP2 from two dataset ? by kwang
4
by kwang
General discussion
SDF to PDB; CONECT issue by John Degenstein
1
by Noel O'Boyle
General discussion
Python Bindings by michael tro
1
by Noel O'Boyle
General discussion
generating SMARTS from mol2 files by Per Jr. Greisen
1
by Stefano Forli
General discussion
Python SWIG interface - Memory Leak in the OBRotor object by Henrique M. Cezar
0
by Henrique M. Cezar
General discussion
openbabel-python-1.8.py27.exe, No Python installation found in the registry by Jean-Marc Nuzillard
1
by Noel O'Boyle
General discussion
regarding obfit and babel by Per Jr. Greisen
0
by Per Jr. Greisen
General discussion
CIF vs mmCIF by Kirill Okhotnikov
1
by Patrick Fuller
openbabel-devel
Re: OpenBabel-discuss Digest, Vol 109, Issue 2 by Yoel
1
by Yoel
General discussion
CUDA experience ? by Pranav
0
by Pranav
General discussion
Cannot convert file : babel runs indefinitely by Achira Maloo
0
by Achira Maloo
General discussion
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