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Topics (1218)
Replies Last Post Views
Erroneous molecule from MDL file by cgram
2
by cgram
Unity3D + OpenBabel Crashing by Brian Adams
2
by Geoff Hutchison
Pybel - atomtype HN not depicted by Jain, Yatish
0
by Jain, Yatish
Pybel - atomtype HN not depicted by Jain, Yatish
0
by Jain, Yatish
Presentation on the Open Babel project by Noel O'Boyle
0
by Noel O'Boyle
fillUC strict option in python bindings by Jon Paul Janet
3
by Jon Paul Janet
SMART notation to select diamine molecule by alfredoq
4
by alfredoq
Windows 7 "import pybel" ImportError: No module named openbabel by py-sfu
1
by Noel O'Boyle
Question about file conversion by Brendan M. O'Boyle
2
by Chris Swain
generating conformers with open babel by Francois Berenger-2
2
by Francois Berenger-2
export a MACCS FP as a string by Francois Berenger-2
2
by Francois Berenger-2
Chirality and tetrahedral stereo configuration by Stefano Forli
3
by Geoff Hutchison
Re: OpenBabel-discuss Digest, Vol 119, Issue 5 by Torsten Sachse
3
by Vaibhav Dixit
unable to run babel command after installation centOS 6 by Vaibhav Dixit
4
by Vaibhav Dixit
Re: OpenBabel-discuss Digest, Vol 119, Issue 4 by Torsten Sachse
0
by Torsten Sachse
set the atom type in python interface by Yun Ding-2
1
by mwojcikowski
Confab: rotatable bond detection by alfredoq
1
by mirix
problem with residue detection by alfredoq
1
by mwojcikowski
AddHydrogens() and subsequent GetX() causes segmentation fault by Peng Bai
2
by Peng Bai
Python scripting internal coordinates by tvery42
1
by Geoff Hutchison
OBChemTsfm and OBReaction by Stefano Forli
4
by Stefano Forli
Different versions of OpenBabel in Debian-based and other Linux systems by mirix
2
by Jeff Janes
SMARTS query by Gravestock David GBJ...
5
by Hitesh Patel
Residue name assignment by mirix
0
by mirix
OpenBabel+OpenACC/OpenMp by Pranav
3
by Pranav
Is there a way to prevent (re)protonation during conformer generation? by mirix
3
by mirix
- problem with PHP script by Muriel Keribin
2
by Muriel Keribin
Re: : PAINS filtering by Chris Swain
0
by Chris Swain
PAINS filtering by mirix
4
by mwojcikowski
Re: PAINS filtering (mirix) by Chris Swain
1
by Geoff Hutchison
Filtering: Ranges, greater than or equal to by mirix
0
by mirix
1-substituted adamantane InChIKeys by M.D. Driver
3
by Stefano Forli
make3D forcefield error by cgram
1
by Noel O'Boyle
Azide and protonation: disappearing nitrogen by Stefano Forli
0
by Stefano Forli
Tanimoto similarity calculation with Java library by Selim güneş
3
by Noel O'Boyle
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