General discussion

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Topics (1236)
Replies Last Post Views
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
Mol2 to PDB; Nucleotide System. Atom Name lost for some atoms by Ben Lowe
0
by Ben Lowe
java library dll error on 64-bit windows by Selim güneş
1
by Geoff Hutchison
question regarding error messages and poor results by Moshe Ben-zion
3
by Andreas Kempe
Open Chemistry in Google Summer of Code by Geoff Hutchison
1
by Nathan Pimental
Cant activate Confab by alfredoq
0
by alfredoq
convert SDF format to MM3 by Moshe Ben-zion
1
by Geoff Hutchison
Open Babel question about convertion object by Dziamski, Olgierd
1
by Craig James-2
ImportError DLL load failed by cornelius_
0
by cornelius_
Confab Usage by Ittoku Sitpy
1
by Geoff Hutchison
iBabel by Chris Swain
6
by Geoff Hutchison
May I get the formula with subcript using OB by shanghongqiang@gmail...
1
by Nathan Pimental
Add each ligand ID from a pdb file to mol2 file by jrhaulung
0
by jrhaulung
azoxy by Stefano Guglielmo
2
by mwojcikowski
Question for open babel by Sawatdee SeeGame
5
by Nathan Pimental
PDB to SMILES by azeif
1
by Geoff Hutchison
How do you keep "comment-type" information ? (from an SDF file) by ashika
2
by Phil Evans
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