openbabel-devel

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Topics (1048)
Replies Last Post Views
Release candidates for Windows: GUI and Python by Noel O'Boyle
0
by Noel O'Boyle
possibly a bug in smiles format by NakataMaho
6
by NakataMaho
Re: possibly a bug: no spin multiplicity in S, K by NakataMaho
0
by NakataMaho
Carbon with 5 bonds by Stefano Forli
0
by Stefano Forli
Implicit copy constructor by Mohammad Mehdi Ghahr...
1
by Geoff Hutchison
problem with requesting for git pull by Mohammad Mehdi Ghahr...
1
by Noel O'Boyle
new MacroMolecular Transmission Format (MMTF) by Stefano Forli
0
by Stefano Forli
Re: [Open Babel] GAFF2 in babel? by Geoff Hutchison
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by Geoff Hutchison
Windows + Data directory. by mwojcikowski
8
by mwojcikowski
Conda Windows by Noel O'Boyle
7
by Geoff Hutchison
fillUC sets space group to P1? by Patrick Avery
1
by Geoff Hutchison
Treat warnings as errors by Noel O'Boyle
3
by Geoff Hutchison
Re: Pybel error by Geoffrey Hutchison-3
1
by Leonardo Lazzaro-2
Release notes - anything missing? by Noel O'Boyle
3
by Geoff Hutchison
Building openbabel with Intel compilers by Maik Schmidt
1
by Noel O'Boyle
Incoming release question by Stefano Forli
0
by Stefano Forli
big in cif input format by Cohen, Ron
1
by Jean Brefort-2
bug in monoclinic space groups by Cohen, Ron
0
by Cohen, Ron
Hard, Slow, or Tricky Kekule structures by Geoff Hutchison
3
by David van der Spoel
Re: [Open Babel] 1-substituted adamantane InChIKeys by Geoff Hutchison
1
by John May
fedora openbabel-devel rpm package by Igor Filippov
1
by Dominik 'Rathann' Mi...
Re: [Open Babel] Azide and protonation: disappearing nitrogen by Stefano Forli
1
by Stefano Forli
Re: Regarding Google Summer of Code project by Geoff Hutchison
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by Geoff Hutchison
OBMol::EndModify by David van der Spoel
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by David van der Spoel
Open Chemistry in Google Summer of Code by Geoff Hutchison
1
by Nathan Pimental
GetAtomIDNumber Bug by Nicholas.Browning
0
by Nicholas.Browning
Many test exception on Mac OSX with -DCMAKE_BUILD_TYPE=Debug by David van der Spoel
7
by Geoff Hutchison
bondtyp.txt by Mohammad Mehdi Ghahr...
3
by David van der Spoel
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
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