General discussion

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Topics (1202)
Replies Last Post Views
How to deal with more than one large database for similarity search and substructure search by duanbaogen
4
by duanbaogen
Compiling on Cygwin by Landon_J
1
by Noel O'Boyle
pybel calcfp() mismatch? by rikb
4
by Noel O'Boyle
Identifying functional groups in a molecule using OpenBabel by amprimiriam
5
by amprimiriam
compile error of C++ program (listed in the openbabel web site) using the openbabel library by duanbaogen
1
by Noel O'Boyle
pybel calcfp() mismatch? by rikb
0
by rikb
access all properties from mol2 file by Hitesh Patel
3
by mwojcikowski
SegFault while adding hydrogens (Python) by Stefano Forli
4
by Noel O'Boyle
Re: PLIP - An Open Babel related project (Nathan Pimental) by Chris Swain
0
by Chris Swain
Compressed pybel.Outputfile output by mlardy
3
by mwojcikowski
PLIP - An Open Babel related project by Sebastian Salentin
1
by Nathan Pimental
obenergy on variable/list by Gulzar Singh
0
by Gulzar Singh
Re: pybel question by Noel O'Boyle
1
by Juan Pablo Arcón
Creating a molecule from scratch (Python) by Stefano Forli
1
by Noel O'Boyle
ForceField Help by Gulzar Singh
2
by Noel O'Boyle
adding hydrogen atoms by ricou51
3
by ricou51
Conformers using user specified torsion angles by Gulzar Singh
0
by Gulzar Singh
Obrotate Help by Gulzar Singh
1
by Igor Filippov
OpenBabel Failed to calculate Gasteiger Partial Charge from many PDB files by debroise
0
by debroise
Obtautomer and Python by Stefano Forli
0
by Stefano Forli
adding hydrogen problem by ricou51
0
by ricou51
Problem with gen3D keyword by Matthew Guberman
2
by Geoff Hutchison
mac mavericks - openbabel trouble with python3 by lansana Camara
2
by Matthew Swain
Converting Smiles to XYZ coordinates by Matthew Guberman
2
by David Hall
Generating 3D SDF from InChI with Perl by Wallace Chan
11
by GeoffWoof
xyz file with dx, dy, dz for visualization in jmol/jsmol by David van der Spoel
1
by Noel O'Boyle
get all matches with OBSmartsPattern? by Hannes Loeffler
0
by Hannes Loeffler
Protonation issues in 2.3.2 version by ggbs
2
by ggbs
How could I eliminate the line in the converted image by shanghongqiang@gmail...
2
by shanghongqiang@gmail...
obabel --gen3d changes the number of rotatable bonds? by Aaron Schweiger
4
by Fredrik Wallner
Re: obabel convert problem by Geoffrey Hutchison-3
1
by zhao li na
error with obabel filter by SMARTS by Stefano Forli
4
by Stefano Forli
error by installing open babel for mac by Allassane Camara
2
by Chris Swain
Guided rotamer searching by Maxwell Wesley Terba...
0
by Maxwell Wesley Terba...
xpansion outpaced its domestibvfd by yunlong123
0
by yunlong123
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