openbabel-devel

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OpenBabel developers mailing list
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Topics (1054)
Replies Last Post Views
Minimum version of MSVC for Open Babel master? by Marcus D. Hanwell-2
4
by Noel O'Boyle
How to get force fields parameters by iwao aoyama
3
by iwao aoyama
Last Call for 2.4 contributions by Geoff Hutchison
0
by Geoff Hutchison
Generating SMARTS format by Mohammad Mehdi Ghahr...
8
by Geoff Hutchison
Bonds for unusual valencies by David van der Spoel
5
by Geoff Hutchison
Fulleren energy calculatuion by Ruslan
0
by Ruslan
(no subject) by Stefano Forli
3
by Geoff Hutchison
2.4 Release - Scheduling & Future Plans by Geoffrey Hutchison-3
6
by Geoffrey Hutchison-3
Linking openbabel-dev formats by David van der Spoel
0
by David van der Spoel
OBBond.IsEster() matches free carboxy groups by Stefano Forli
0
by Stefano Forli
OBPair support in Mol2 format by Stefano Forli
7
by Stefano Forli
python cast of OBStereo.NoRef by TJ O'Donnell
2
by TJ O'Donnell
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
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