openbabel-devel

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Topics (1043)
Replies Last Post Views
canonical dot-separated smiles by TJ O'Donnell
1
by Geoff Hutchison
cmake formats by David Koes
1
by Geoff Hutchison
Conflict with system locale.h by David van der Spoel
1
by Geoff Hutchison
Space Groups in PDB files by Geoff Hutchison
0
by Geoff Hutchison
PQR reading file by ggbs
1
by ggbs
Gen2D screws up stereo? by Craig James-2
3
by Craig James-2
Segmentation fault whenever call function OBRotor::CalcTorsion(coor) by Negelis
0
by Negelis
Problem with Win7 and MinGW - no Plugins loaded by Daggi
3
by Daggi
Building Babel on Mac by CHAO-JUNG LIU
5
by Fredrik Wallner
CIF file to xyz without broken ends by mohan
0
by mohan
git version of OB broken? by David van der Spoel
6
by David van der Spoel
Re: OpenBabel-Devel Digest, Vol 107, Issue 2 by David Koes
0
by David Koes
pull request problem by David van der Spoel
0
by David van der Spoel
Building manual page by David van der Spoel
0
by David van der Spoel
SVG "3D" depictions and BountySource by Geoff Hutchison
0
by Geoff Hutchison
Re: [openbabel] OBConversion improvements (#191) by David Koes
0
by David Koes
Fwd: [openbabel] OBConversion improvements (#191) by Geoffrey Hutchison-3
3
by Noel O'Boyle
CIF vs mmCIF by Kirill Okhotnikov
1
by Patrick Fuller
Fwd: Google Summer of Code by Geoff Hutchison
7
by rwest
MOE extensions to SMARTS by Matt Harvey
4
by Matt Harvey
Windows 3rd party libs/dlls by Noel O'Boyle
6
by Noel O'Boyle
OpenBabel version in Python by mwojcikowski
0
by mwojcikowski
Appveyor by Noel O'Boyle
2
by Noel O'Boyle
Proposal for a modern C++ codebase by Ryushiro Sugehara
10
by Craig James-2
Let's add some tests by Noel O'Boyle
0
by Noel O'Boyle
Strange behavior when finding forcefields (Python) by Stefano Forli
5
by Noel O'Boyle
1H-tetrazole and 2H-tetrazole by Paul van Maaren
1
by Noel O'Boyle
I installed open babel 2.3.90, but I still can't import pybel by Yujie
10
by David Hall
Ring Conformers by Geoff Hutchison
2
by David Hall
No module named pybel by Yujie
0
by Yujie
Is obconformer the same as confab ? by David van der Spoel
1
by David Hall
Mol2 atom number restriction by Nicholas.Browning
6
by Reinis Danne
[PATCH] Fix build with gcc-5.x by Dominik 'Rathann' Mi...
4
by Geoff Hutchison
[PATCH] Fix build with swig-3.0.x by Dominik 'Rathann' Mi...
1
by David Hall
Generating symmetry number for a molecule by David van der Spoel
3
by Geoff Hutchison
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