Quantcast

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.
1234 ... 93
Topics (3230)
Replies Last Post Views Sub Forum
Many test exception on Mac OSX with -DCMAKE_BUILD_TYPE=Debug by David van der Spoel
6
by Mohammad Ghahremanpo...
openbabel-devel
problem with sdf->pdb conversion by Roni Gordon
9
by rathjyoti
bondtyp.txt by Mohammad Ghahremanpo...
3
by David van der Spoel
openbabel-devel
Minimum version of MSVC for Open Babel master? by Marcus D. Hanwell-2
4
by Noel O'Boyle
openbabel-devel
ImportError DLL load failed by cornelius_
0
by cornelius_
General discussion
How to get force fields parameters by iwao aoyama
3
by iwao aoyama
openbabel-devel
OpenBabel+OpenACC/OpenMp by Pranav
2
by Geoff Hutchison
General discussion
convert SDF format to MM3 by Moshe Ben-zion
0
by Moshe Ben-zion
General discussion
Last Call for 2.4 contributions by Geoff Hutchison
0
by Geoff Hutchison
openbabel-devel
Confab Usage by Ittoku Sitpy
1
by Geoff Hutchison
General discussion
Generating SMARTS format by Mohammad Ghahremanpo...
8
by Geoff Hutchison
openbabel-devel
iBabel by Chris Swain
6
by Geoff Hutchison
General discussion
May I get the formula with subcript using OB by shanghongqiang@gmail...
1
by Nathan Pimental
General discussion
Add each ligand ID from a pdb file to mol2 file by jrhaulung
0
by jrhaulung
General discussion
Bonds for unusual valencies by David van der Spoel
5
by Geoff Hutchison
openbabel-devel
Fulleren energy calculatuion by Ruslan
0
by Ruslan
openbabel-devel
azoxy by Stefano Guglielmo
2
by mwojcikowski
General discussion
Question for open babel by Sawatdee SeeGame
5
by Nathan Pimental
General discussion
PDB to SMILES by azeif
1
by Geoff Hutchison
General discussion
(no subject) by Stefano Forli
3
by Geoff Hutchison
openbabel-devel
OBAlign Stressing by Pranav
0
by Pranav
openbabel-devel
2.4 Release - Scheduling & Future Plans by Geoffrey Hutchison-3
6
by Geoffrey Hutchison-3
openbabel-devel
Linking openbabel-dev formats by David van der Spoel
0
by David van der Spoel
openbabel-devel
How do you keep "comment-type" information ? (from an SDF file) by ashika
2
by Phil Evans
General discussion
OBBond.IsEster() matches free carboxy groups by Stefano Forli
0
by Stefano Forli
openbabel-devel
OBPair support in Mol2 format by Stefano Forli
7
by Stefano Forli
openbabel-devel
Unit of Forces Returned by GetForces() by sebastiandohm
0
by sebastiandohm
General discussion
python cast of OBStereo.NoRef by TJ O'Donnell
2
by TJ O'Donnell
openbabel-devel
canonical dot-separated smiles by TJ O'Donnell
1
by Geoff Hutchison
openbabel-devel
cmake formats by David Koes
1
by Geoff Hutchison
openbabel-devel
Conflict with system locale.h by David van der Spoel
1
by Geoff Hutchison
openbabel-devel
Space Groups in PDB files by Geoff Hutchison
0
by Geoff Hutchison
openbabel-devel
Examples of Openbabel fast substructure searching by Mark Forster-2
4
by Fredrik Wallner
General discussion
alternative FF? by Albert
1
by Geoff Hutchison
General discussion
Problem in converting a PDB file to MOL2 by Alexandre Fassio
22
by Alexandre Fassio
General discussion
1234 ... 93