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Mailing list archive for openbabel-discuss
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Topics (1287)
Replies Last Post Views
Open Babel: 10 Years and Future Directions by Geoffrey Hutchison-3
6
by Reinis Danne
formal charges by ejang
2
by ejang
Problem call Open Babel C++ library from Java by AlexK
3
by AlexK
MolCore beginnings by David Lonie
0
by David Lonie
tanimoto coefficient by AKHILA
0
by AKHILA
Problem with PUBCHEM properties by Adebayo Adeniyi
2
by Chris Morley-3
API for generating 2D coordinates or 3D->2D conversion? by Ilya Balabin-2
1
by Ilya Balabin
Need complementary information on FP2 by Marianne
4
by Marianne Seijo
Similarity Searching in fs-File by Jochen Schreiber
1
by Chris Morley-3
problems with make test on centos 5.5 by Peter Schmidtke
4
by Peter Schmidtke
Converting from compound names in OpenBabel by Chris Morley-3
2
by Geoffrey Hutchison
Multiple Input File search by Jochen Schreiber
4
by Ernst-Georg Schmid-2
small molecule finger printing by AKHILA
2
by AKHILA
Babel Multiple Input Files by Jochen Schreiber
9
by Chris Morley-3
bond stretch constant by ejang
1
by Geoffrey Hutchison
debug openbabel by ejang
7
by Geoffrey Hutchison
Using openbabel.py to generate InChIKey with reconnect metal option by Ken Smith
2
by Chris Morley-3
OpenBabel Conformer Search by JP
6
by Geoffrey Hutchison
separate fragments by Kilin, Dmitri S
2
by Dmitri S. Kilin
Re: OpenBabel-discuss Digest, Vol 67, Issue 6 by davidgauthier
0
by davidgauthier
OBDotNet : Integration to intranet aspx web pages ? by davidgauthier
5
by davidgauthier
Open Babel 2.3.1 by Dhingra, Anish *
1
by Noel O'Boyle
Openbabel Memory Usage by icdi
1
by Chris Morley-3
InChI v 1.04 and CML to InChI conversion by Ken Smith
1
by Chris Morley-3
Fingerprints & plugin loading system by Jérôme Pansanel
3
by Jérôme Pansanel
Cinfony 1.1 released by Noel O'Boyle
0
by Noel O'Boyle
Using Open Babel to generate MACCS fingerprints by Kirk Simmons
1
by Noel O'Boyle
2.3.1 compilation problem by David García Aristeg...
3
by David García Aristeg...
Pybel's 'FP4' fingerprint bug report by Mingyue Zheng
4
by Mingyue Zheng
Openbabel bug/inconsistency - added H to mol inverts stereochemistry by JP
2
by Noel O'Boyle
Weird problem with Linux Version by DEC014
2
by DEC014
port GAFF parameters for use in another program by ejang
1
by Tim Vandermeersch
cmake to generate xcode project from OpenBabel by ejang
0
by ejang
"compiling open babel" documentation by David García Aristeg...
2
by Noel O'Boyle
Problem with ObConversion and Perl bindings. by Бодров Андрей
3
by Бодров Андрей
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