Open Babel

Open Babel

OpenBabel is a project designed to pick up where Babel left off, as a cross-platform program and library designed to interconvert between many file formats used in molecular modeling and computational chemistry. Open Babel home is here.
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Topics (1071)
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Making canonical fragments by Noel O'Boyle
star 9
by Noel O'Boyle
openbabel-devel
[ openbabel-Bugs-2915511 ] openbabel 2.2.3 crashes while reading in large pdb file by SourceForge.net
star 0
by SourceForge.net
openbabel-devel
Somebody interested in a VF2 based structure matcher for OB? by ernst-georg.schmid
star 7
by Greg Landrum
openbabel-discuss
Tkinter, pymol dependency issue by walshmj
star 1
by Noel O'Boyle
openbabel-discuss
[OpenBabel-Devel] [ openbabel-Bugs-2913239 ] stannanes [Sn] make fingerprint crash by SourceForge.net
star 0
by SourceForge.net
openbabel-devel
[OpenBabel-Devel] [ openbabel-Bugs-2913230 ] hypervalent states make fingerprint crash by SourceForge.net
star 0
by SourceForge.net
openbabel-devel
[OpenBabel-Devel] [ openbabel-Bugs-2913217 ] [Sb] compounds make fingerprint crash by SourceForge.net
star 0
by SourceForge.net
openbabel-devel
[OpenBabel-Devel] [ openbabel-Bugs-2913204 ] Cannot search for C[N+]#[C-] by SourceForge.net
star 0
by SourceForge.net
openbabel-devel
[OpenBabel-Devel] [ openbabel-Bugs-2912360 ] trouble with guanidinium by SourceForge.net
star 0
by SourceForge.net
openbabel-devel
OBPairData problem by Loris Moretti
star 2
by Charlie Zhu
openbabel-scripting
Molsketch 0.2.0 released by Tim Vandermeersch
star 0
by Tim Vandermeersch
openbabel-devel
formats plugin by Irene Kouskoumvekaki
star 0
by Irene Kouskoumvekaki
openbabel-discuss
openbabel 2.2.3 (windows) crashed while reading in large PDB formatted file by qiancheng shen
star 3
by Geoffrey Hutchison-2
openbabel-scripting
Google filters OpenBabel by Noel O'Boyle
star 6
by Craig A. James-3
openbabel-devel
[ openbabel-Bugs-2909658 ] building Openbabel in Mac OS 10.6.2 by SourceForge.net
star 0
by SourceForge.net
openbabel-devel
openbabel 2.2.3 (windows) crashed while reading in large PDB formatted file by qiancheng shen
star 0
by qiancheng shen
openbabel-discuss
Raman activities reading support by Konstantin Tokarev
star 0
by Konstantin Tokarev
openbabel-devel
Vdw calculation in forcefieldghemical by Gerd Menche
star 5
by Tim Vandermeersch
openbabel-devel
openbabel 2.2.3 (windows) crashed while reading in large PDB formatted file by qiancheng shen
star 0
by qiancheng shen
openbabel-scripting
No possible SMILES? by Noel O'Boyle
star 4
by Andrew Dalke
openbabel-devel
nucleic acids in pdb files by TJ O'Donnell
star 2
by TJ O'Donnell
openbabel-discuss
Access violation exception when reading/writing xml formats by Matt Sprague
star 7
by Noel O'Boyle
openbabel-scripting
More Cmake love (Was Re: Trunk won't compile) by Noel O'Boyle
star 1
by Marcus D. Hanwell
openbabel-devel
Electronic Transitions in OB trunk by Geoffrey Hutchison-2
star 1
by David Lonie
openbabel-devel
Trunk won't compile by David Lonie
star 5
by David Lonie
openbabel-devel
povray output by Steven Wathen
star 3
by Steven Wathen
openbabel-discuss
Quadruple bond in SMILES by Chris Morley
star 3
by Geoffrey Hutchison-2
openbabel-devel
Creating label values as titles for molecules in SD file by ken auerbach
star 8
by Chris Morley
openbabel-discuss
[ openbabel-Bugs-2903926 ] CML triple bond not recognised if specified as T by SourceForge.net
star 0
by SourceForge.net
openbabel-devel
Add SD file property to molecule title by ken auerbach
star 0
by ken auerbach
openbabel-discuss
2D SVG depiction by Chris Morley
star 8
by Igor Filippov
openbabel-devel
Filter PDB with COMPND Identifier by Jack Shultz-2
star 4
by Jack Shultz-2
openbabel-discuss
python bindings: OBChemTsfm? by Andreas Kempe
star 1
by Noel O'Boyle
openbabel-scripting
Avoiding spurious fragment matches when building ring systems by Noel O'Boyle
star 4
by Noel O'Boyle
openbabel-devel
Obminimize by Vinay M-2
star 1
by Geoffrey Hutchison-2
openbabel-discuss
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