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Topics (1202)
Replies Last Post Views
Error - install - linux by Eliac Brown
3
by Noel O'Boyle
Funded project for undergraduate student on forcefield development in Open Babel by Noel O'Boyle
0
by Noel O'Boyle
Asking about SMARTS by NGUYEN Thanh Binh-2
9
by Pascal Muller-3
help - segmentation fault with Pybel on Mac OS x by Hassan Thomas Mamdan...
1
by Geoffrey Hutchison
Report weird behaviour of Tanimoto / readfile with Pybel by Floriane Montanari
4
by Floriane Montanari
mol2 substructure section by Yuri Pevzner
1
by Pascal Muller-3
Re: Very Import by Noel O'Boyle
0
by Noel O'Boyle
Silicos announces the release of ProfiLIB, a free compound library characterization tool by Hans De Winter
0
by Hans De Winter
Silicos announces the release of ProfiLIB, a free compound library characterization tool by Hans De Winter
0
by Hans De Winter
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
(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
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