General discussion

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Topics (1264)
Replies Last Post Views
FW: Mychem SQL query for Tanimoto function by Martin Morissette
2
by Martin Morissette
Problem with Pybel installation for Anaconda by RichardMR
3
by RichardMR
Java bindings for openbabel 2.4.0 by Jason Ott
12
by Noel O'Boyle
Snap Package for Open Babel by Noel O'Boyle
2
by Noel O'Boyle
Obminimize by samdani
0
by samdani
Neutral element valence electrons? by Patrick Avery
0
by Patrick Avery
Re: [OpenBabel-scripting] smi support problem in pybel/openbabel python by Noel O'Boyle
0
by Noel O'Boyle
Conformer generation by samdani
2
by Noel O'Boyle
Flattering A-line Sweetheart Short Rhinestone Dress by Everley
1
by nicegarment
one for obdepict by Dimitri Maziuk
0
by Dimitri Maziuk
ANNOUNCE: Open Babel 2.4.0 Released by Geoffrey Hutchison-3
3
by Giovanni Cincilla
Building a molecule ( with SMILES) along a given vector by raindeath
2
by raindeath
The applications of human primary cells, anymore? by BettyC
0
by BettyC
Formal Charge : Convert chem draw cdx file to smi file by 澤田敏彦
0
by 澤田敏彦
Re: OpenBabel-discuss Digest, Vol 124, Issue 14 by Henrique M. Cezar
1
by Noel O'Boyle
Open Babel 2.4.0 on Windows by Noel O'Boyle
0
by Noel O'Boyle
New Windows User having problems with Openbabel by Stuart
1
by Mixda
BUG: Nitrogen chirality by Sam Tonddast-Navaei
2
by Sam Tonddast-Navaei
loss of stereochemistry after protonization by Sam Tonddast-Navaei
0
by Sam Tonddast-Navaei
install of open babel for pymol under window 10 - BABEL_DATADIR issues?? by Thomas Ryckmans
6
by eolmon
How to enumerate all possible stereoisomers of a molecule with a not defined stereocenter? by Giovanni Cincilla
3
by Giovanni Cincilla
Re: error: ?std::tr1? has not been declared using #std::tr1::shared_ptr by Torsten Sachse
0
by Torsten Sachse
error: ‘std::tr1’ has not been declared using std::tr1::shared_ptr by riccardo innocenti
0
by riccardo innocenti
Converting PDB to SMILES and matching atom orders by Sam Tonddast-Navaei
4
by Sam Tonddast-Navaei
tutorials on small molecule energy minimization and substructure searching by Benji Horning
2
by mirix
my email address by Jo Boehm
0
by Jo Boehm
Atomic charge changed during conversion from pdb to mol2 by samdani
2
by Noel O'Boyle
Command line help for protonation by Stuart
7
by Pascal Muller-3
Diamine Oxidase by susanrey
0
by susanrey
Open Babel 2.3 unable to filter batch SDF files on basis of logP and ROTATABLE_BOND by baccilus
3
by Geoff Hutchison
2.3.2 release: make test errors (isomorphism, rotor, pytest). by David García Aristeg...
2
by Noel O'Boyle
java openbabel help by wfeng1280
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by wfeng1280
New Windows User having problems with Openbabel (not sure if the first posting worked) by Stuart
1
by Geoff Hutchison
Cannot understand the element label Du. by jrhaulung
3
by mirix
Re: Ligand Information losing during splitting of large dataset by Geoff Hutchison
0
by Geoff Hutchison
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