General discussion

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Topics (1264)
Replies Last Post Views
Use of wild card characters in iBabel GUI ? by Felix Grun
1
by christopherswain@btc...
Re: CCL: Problems with adding hydrogens by Geoffrey Hutchison-3
1
by Heribert Reis
obminimize by christopherswain@btc...
2
by christopherswain@btc...
Re: Use of wild card characters in iBabel GUI ? (Felix Grun) by christopherswain@btc...
0
by christopherswain@btc...
obfit -- multiple hits for a given SMARTS in ligand? by Lucas Nivon
1
by Geoffrey Hutchison
Re: Use of wild card characters in iBabel GUI by christopherswain@btc...
0
by christopherswain@btc...
Problems with 'add hydrogen' by Heribert Reis
1
by Pascal Muller-3
List of monatomic ions for all elements... by Ken Smith
1
by Andrew Dalke
bug in car to xyz conversion? by Gabriele Penazzi
2
by Gabriele Penazzi-2
Installation on Solaris by Abhinav Mathur
1
by Geoffrey Hutchison
Need help in calculationg tanimoto coefficient by chakravarthy
17
by chakravarthy
(no subject) by Jose M. Cabrera-Truj...
4
by Geoffrey Hutchison-3
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
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