openbabel-scripting

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Topics (277)
Replies Last Post Views
Distance between atoms by JdeBruin
2
by JdeBruin
SMARTS by JdeBruin
0
by JdeBruin
openbabel python example on Wiki Question by gphani
1
by Noel O'Boyle
text representation of SMARTS objects? by Andrew Fant-2
3
by Andrew Fant-2
Bindings compatible with Enthought Python on Windows? by Noel O'Boyle
0
by Noel O'Boyle
identify multi-fragment molecules in pybel? by Andrew Fant-2
1
by Noel O'Boyle
Am I setting conversion parameters correctly? by A. Heifets-2
1
by Noel O'Boyle
Get individual atomic LogP values by francois
4
by francois
OBDotNet and VBA by MarkEarll
2
by MarkEarll
Add filename to title during conversion by MarkEarll
1
by Noel O'Boyle
Chiral flag lost by dave.nunn
8
by Noel O'Boyle
Energy minimization using perl by saad khan
0
by saad khan
Ruby bindings for OBDepict by helma
5
by Noel O'Boyle
Unable to open gzipped files on windows from python by AdriĆ  Cereto Massagu...
4
by AdriĆ  Cereto Massagu...
doing energy minimization by saad khan
1
by Noel O'Boyle
level of MNA descriptors by Igor Filippov
7
by Noel O'Boyle
Last chance to apply to attend Open Babel users' workshop by Noel O'Boyle
0
by Noel O'Boyle
Duplicate Molecules by JdeBruin
2
by Marc Campitelli
Re: [Open Babel] how to access getAlias() in perl by Geoffrey Hutchison
5
by Geoffrey Hutchison
Problems with openbabel/pybel installation on MacOS X 10.6.6 by Andrew Fant-2
4
by Geoffrey Hutchison-3
openbabel for sdf to mol conversion by nms_uk
2
by nms_uk
openbabel for comparing molfiles by nms_uk
3
by Noel O'Boyle
The type initializer for 'OpenBabel.openbabelcsharpPINVOKE' threw an exception. by Pranav Thakur
6
by Pranav Thakur
import error by JdeBruin
1
by Noel O'Boyle
Smiles to 3D SDF by JdeBruin
2
by Noel O'Boyle
MOL file as string by parameter and JME by kohai.raul
3
by kohai.raul
Very Strange behaviour OBConversion. Perl Bindings by kohai.raul
2
by kohai.raul
OpenBabel 2.3.0 Installation by R.L. Marchese-Robins...
1
by Noel O'Boyle
Re: InChI and SMILES by Noel O'Boyle
3
by Ken Smith
OBMol.GetCoordinates by dalvarez
1
by Noel O'Boyle
Replace an atom by Pascal Muller-3
2
by Geoffrey Hutchison
Comparing stereoisomer by Pascal Muller-3
1
by Noel O'Boyle
installing openbabel python by Swank, Craig
10
by Geoffrey Hutchison-3
ANNOUNCE: Open Babel 2.3.0 Release by Geoffrey Hutchison-3
0
by Geoffrey Hutchison-3
WriteMapList using Perl by Duangrudee Tanramluk
9
by jseco
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