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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 (3270)
Replies Last Post Views Sub Forum
Chirality and tetrahedral stereo configuration by Stefano Forli
3
by Geoff Hutchison
General discussion
Re: OpenBabel-discuss Digest, Vol 119, Issue 5 by Torsten Sachse
3
by Vaibhav Dixit
General discussion
unable to run babel command after installation centOS 6 by Vaibhav Dixit
4
by Vaibhav Dixit
General discussion
Re: OpenBabel-discuss Digest, Vol 119, Issue 4 by Torsten Sachse
0
by Torsten Sachse
General discussion
big in cif input format by Cohen, Ron
1
by Jean Brefort-2
openbabel-devel
bug in monoclinic space groups by Cohen, Ron
0
by Cohen, Ron
openbabel-devel
set the atom type in python interface by Yun Ding-2
1
by mwojcikowski
General discussion
Confab: rotatable bond detection by alfredoq
1
by mirix
General discussion
problem with residue detection by alfredoq
1
by mwojcikowski
General discussion
AddHydrogens() and subsequent GetX() causes segmentation fault by Peng Bai
2
by Peng Bai
General discussion
Python scripting internal coordinates by tvery42
1
by Geoff Hutchison
General discussion
Hard, Slow, or Tricky Kekule structures by Geoff Hutchison
3
by David van der Spoel
openbabel-devel
OBChemTsfm and OBReaction by Stefano Forli
4
by Stefano Forli
General discussion
Different versions of OpenBabel in Debian-based and other Linux systems by mirix
2
by Jeff Janes
General discussion
SMARTS query by Gravestock David GBJ...
5
by Hitesh Patel
General discussion
SMARTS question by Gravestock David GBJ...
2
by Andrew Dalke
General discussion
Residue name assignment by mirix
0
by mirix
General discussion
OpenBabel+OpenACC/OpenMp by Pranav
3
by Pranav
General discussion
Is there a way to prevent (re)protonation during conformer generation? by mirix
3
by mirix
General discussion
- problem with PHP script by Muriel Keribin
2
by Muriel Keribin
General discussion
Re: : PAINS filtering by Chris Swain
0
by Chris Swain
General discussion
PAINS filtering by mirix
4
by mwojcikowski
General discussion
Re: PAINS filtering (mirix) by Chris Swain
1
by Geoff Hutchison
General discussion
Filtering: Ranges, greater than or equal to by mirix
0
by mirix
General discussion
Re: [Open Babel] 1-substituted adamantane InChIKeys by Geoff Hutchison
1
by John May
openbabel-devel
fedora openbabel-devel rpm package by Igor Filippov
1
by Dominik 'Rathann' Mi...
openbabel-devel
Re: [Open Babel] Azide and protonation: disappearing nitrogen by Stefano Forli
1
by Stefano Forli
openbabel-devel
Flattering A-line Sweetheart Short Rhinestone Dress by Everley
0
by Everley
General discussion
Re: Regarding Google Summer of Code project by Geoff Hutchison
0
by Geoff Hutchison
openbabel-devel
1-substituted adamantane InChIKeys by M.D. Driver
3
by Stefano Forli
General discussion
make3D forcefield error by cgram
1
by Noel O'Boyle
General discussion
Azide and protonation: disappearing nitrogen by Stefano Forli
0
by Stefano Forli
General discussion
Tanimoto similarity calculation with Java library by Selim güneş
3
by Noel O'Boyle
General discussion
Mol2 to PDB; Nucleotide System. Atom Name lost for some atoms by Ben Lowe
0
by Ben Lowe
General discussion
java library dll error on 64-bit windows by Selim güneş
1
by Geoff Hutchison
General discussion
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