Open Babel

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 (3490)
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pwscf format by sencer
1
by Fredrik Wallner
General discussion
-get3d option in mol by Zeno Apostolides
1
by Geoff Hutchison
General discussion
OpenBabel compilation fails by Vera Stehr
1
by Geoff Hutchison
General discussion
compiling python-bindings for OpenBabel on CentOS by Charlotta Schärfe
2
by Charlotta Schärfe
General discussion
--fillUC keepconnect option by prasun kumar
3
by prasun kumar
General discussion
1-Click Docking by Róbert Kiss
0
by Róbert Kiss
General discussion
compiling OB-2.3.2 by Ling Chan
8
by Noel O'Boyle
General discussion
Atom type from Molreport option by prasun kumar
4
by prasun kumar
General discussion
Directory structure in install directory for OpenBabel by Kirk Simmons
2
by Chris Morley-3
General discussion
Perl bindings by Jeff Janes
2
by Jeff Janes
General discussion
Unable to create openbabel java bindings on Linux by Navneeth Rao
0
by Navneeth Rao
General discussion
Command Line vs Avogadro Results by 赖仁福
2
by Geoff Hutchison
General discussion
Sulfinic acid SMILES input by Jeff Janes
0
by Jeff Janes
General discussion
New OpenSMILES specification posted by Craig James-2
0
by Craig James-2
General discussion
Behaviour of OBMol &operator+= by Noel O'Boyle
1
by Geoff Hutchison
openbabel-devel
Kekulization and location of Hs by Noel O'Boyle
7
by Tim Vandermeersch
openbabel-devel
Python compile failure on trunk with OBFreeGridPoint by Noel O'Boyle
3
by David van der Spoel
openbabel-devel
mmff94 test fail by Noel O'Boyle
3
by Noel O'Boyle
openbabel-devel
Problems with binding Python by elikbelik
8
by Noel O'Boyle
General discussion
New feature in Pybel with OB 2.3.2 by Noel O'Boyle
0
by Noel O'Boyle
General discussion
segmentation fault reading mol2 files with Nitrogen by Manuel
3
by Noel O'Boyle
General discussion
duplicated molecules in an output file by Sarah Rodriguez-2
1
by Chris Morley-3
General discussion
substructure classification by David van der Spoel
10
by David van der Spoel
General discussion
cmake trouble -- building the code in SVN trunk by Sarah Rodriguez-2
1
by Chris Morley-3
General discussion
split structures into new objects by Stefan Henrich
3
by Noel O'Boyle
openbabel-scripting
database by Sarah Rodriguez
1
by Chris Morley-3
General discussion
match atom order in two pdb files of same molecule by dalvarez
1
by Noel O'Boyle
General discussion
Smiles conversion problems with Ion and Zwitterion by scott_m
9
by Miguel Quirós Olozáb...
General discussion
Intro to using Open Babel by Noel O'Boyle
3
by Noel O'Boyle
General discussion
Invalid memory access during OBConversion.WriteFile() by mpillong
10
by mpillong
General discussion
Gen3D troubles by Altyr
2
by Altyr
General discussion
DNA image? by Craig James-2
2
by peter murray-rust
openbabel-devel
reply-to list as default? by David van der Spoel
1
by Noel O'Boyle
openbabel-devel
Tidying up files by Chris Swain-2
4
by Chris Swain-2
General discussion
Fwd: Re: failed tests in trunk by David van der Spoel
0
by David van der Spoel
openbabel-devel
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