General discussion

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Topics (1287)
Replies Last Post Views
Conformer Search vs. Conformer Generation by kcpearce
6
by kcpearce
rmsd problem by 宋堃
1
by Geoff Hutchison
Maintaining cis/trans after fragmentation by Sam Tonddast-Navaei
11
by Sam Tonddast-Navaei
Batch minimization of ligands by ishan
6
by Dimitri Maziuk
Monte Carlo Conformer Search by kcpearce
0
by kcpearce
Pybel Installation by Om
0
by Om
pybel installation problem on windows (64bits) machine by Julee Adesara
1
by Noel O'Boyle
And fit for fifa 17 coins by fifadelia
0
by fifadelia
Re: add hydrogens appropriate for pH by Chris Swain
1
by Geoff Hutchison
Unrealistic qtpie and qeq charges by EARLEY, CLARKE
0
by EARLEY, CLARKE
Unrealistic qeq and qtpie charges by EARLEY, CLARKE
0
by EARLEY, CLARKE
Problem installing Pybel & OpenBabel 2.41. on Windows by RichardMR
2
by Noel O'Boyle
strange behavior with OpenBabel::OBResidueAtomIter with big residue by ivan.petit
0
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
1
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
0
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...
0
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
2
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
2
by Noel O'Boyle
Obminimize by samdani
0
by samdani
Neutral element valence electrons? by Patrick Avery
0
by Patrick Avery
Re: [OpenBabel-scripting] smi support problem in pybel/openbabel python by Noel O'Boyle
0
by Noel O'Boyle
Conformer generation by samdani
2
by Noel O'Boyle
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