General discussion

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Topics (1287)
Replies Last Post Views
Maximum Input File Size by Mohd Afiq Hazlami
1
by Noel O'Boyle
segfault with fingerprint index search by Andrew Dalke
3
by Andrew Dalke
Python Qt and openbabel - atomicmass error by zio
6
by Geoffrey Hutchison
Fw: size limit on sd files? by Andy D P
1
by Noel O'Boyle
Newbie help with java code for number of stereocenters, num rings , logP and PSA by hari jayaram
1
by Noel O'Boyle
chemfp / looking for testers by Andrew Dalke
0
by Andrew Dalke
canonical SMILES question by SALDANA MIRANDA Dieg...
2
by SALDANA MIRANDA Dieg...
Re: Open Babel work by Noel O'Boyle
3
by Noel O'Boyle
generate a smarts with explicit H by Pascal Muller-3
8
by Andrew Dalke
OBAlign/ Eigen by Prashanth Athri
1
by Geoffrey Hutchison
MolCore? by JP
1
by Geoffrey Hutchison
erro on centOS by Hu, Xin (NIH/NHGRI) ...
6
by Geoffrey Hutchison
Openbabel python bindings on Mac OS X by Ken Smith
4
by Ken Smith
partialcharge methods by Scott Brozell
3
by Geoffrey Hutchison
Tanimoto scores by Floriane Montanari
0
by Floriane Montanari
Obfit woes (basic chemistry question?) by JP
1
by Noel O'Boyle
about Python binding by seritaka
3
by seritaka
Ask for SMILES + C++ by NGUYEN Thanh Binh
1
by Chris Morley-3
similarity search by Floriane Montanari
1
by Chris Morley-3
openbabel 2.3 compile with boost library by Bing Xiong
1
by Noel O'Boyle
openbabel branch 2.2.3 by kohai.raul
1
by Chris Morley-3
"cansmi" and "cansmiNS" descriptors return nan in pybel by Andrew Dalke
1
by Chris Morley-3
INSTALL clarity by Scott Brozell
2
by Scott Brozell
How to find of to which class of molecules a molecule belongs. by Carsten Niehaus-2
2
by Noel O'Boyle
Re: Cis-trans streochemistry lost on upgrading to 2.3.0? by Miguel Quirós Olozáb...
0
by Miguel Quirós Olozáb...
Testing post from Nabble - please ignore by Noel O'Boyle
0
by Noel O'Boyle
Testing - please ignore by Noel O'Boyle
0
by Noel O'Boyle
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