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Topics (1202)
Replies Last Post Views
Unrealistic qeq and qtpie charges by EARLEY, CLARKE
0
by EARLEY, CLARKE
Problem installing Pybel & OpenBabel 2.41. on Windows by RichardMR
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by Noel O'Boyle
strange behavior with OpenBabel::OBResidueAtomIter with big residue by ivan.petit
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by ivan.petit
error with complin by Mohammad Goodarzi
9
by Fredrik Wallner
Dear all, QEq partial charge predicts all zero value. Any suggestions ? by peter308
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by Geoff Hutchison
OBConversion in Open Babel version 2.4.1 by Jördis-Ann Schüler
4
by Geoff Hutchison
g++ can't find "openbabel/obconversion.h" by James Johnson
4
by Dimitri Maziuk
add hydrogens appropriate for pH by Chris Swain
8
by Stefano Forli
Build a pdb molecule. problem to provide the atoms name by ivan.petit
1
by David Hall
MOPAC by Chris Swain
5
by Chris Swain
Problems on InChI to IKnChIkey conversions by Peter Fischer
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by Peter Fischer
CMake error by Luis Fernando Cofas ...
2
by Eiso AB-2
OpenMP in a C++ code with Openbabel by Nicolas Cheron
5
by Dimitri Maziuk
status of OBDotNet by Dan Field
1
by Geoff Hutchison
Compiling OpenBabel 2.4.x - Errors in OBGUI.cpp by John Todd
5
by John Todd
How to get the hydrogen atom to show in front of the bromine atom by shanghongqiang@gmail...
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by shanghongqiang@gmail...
[Pybel, make3d, .mol] Why is there no "make2D()", and why can't I just "flatten()" a mol file? by T V
3
by Noel O'Boyle
FW: Mychem SQL query for Tanimoto function by Martin Morissette
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by Martin Morissette
Problem with Pybel installation for Anaconda by RichardMR
3
by RichardMR
Java bindings for openbabel 2.4.0 by Jason Ott
12
by Noel O'Boyle
Snap Package for Open Babel by Noel O'Boyle
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by Noel O'Boyle
Obminimize by samdani
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by samdani
Neutral element valence electrons? by Patrick Avery
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by Patrick Avery
Re: [OpenBabel-scripting] smi support problem in pybel/openbabel python by Noel O'Boyle
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by Noel O'Boyle
Conformer generation by samdani
2
by Noel O'Boyle
Flattering A-line Sweetheart Short Rhinestone Dress by Everley
1
by nicegarment
one for obdepict by Dimitri Maziuk
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by Dimitri Maziuk
ANNOUNCE: Open Babel 2.4.0 Released by Geoffrey Hutchison-3
3
by Giovanni Cincilla
Building a molecule ( with SMILES) along a given vector by raindeath
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by raindeath
The applications of human primary cells, anymore? by BettyC
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by BettyC
Formal Charge : Convert chem draw cdx file to smi file by 澤田敏彦
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by 澤田敏彦
Re: OpenBabel-discuss Digest, Vol 124, Issue 14 by Henrique M. Cezar
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by Noel O'Boyle
Open Babel 2.4.0 on Windows by Noel O'Boyle
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by Noel O'Boyle
New Windows User having problems with Openbabel by Stuart
1
by Mixda
BUG: Nitrogen chirality by Sam Tonddast-Navaei
2
by Sam Tonddast-Navaei
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