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Topics (1186)
Replies Last Post Views
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
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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
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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
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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
Problem in Open babel, when in working with Mesmer 4.1 by Sourav Ghoshal
1
by Noel O'Boyle
Re: [InChI-discuss] Fw: inchi numbering of pro-chiral protons by Noel O'Boyle
0
by Noel O'Boyle
Generating all cis-trans stereoisomers by cgram
3
by Noel O'Boyle
Pybel Attribute error with 'delete_vectorULong' by asood
1
by Noel O'Boyle
obconformer by bossarom
1
by Geoff Hutchison
obminimize by bossarom
1
by Geoff Hutchison
GAFF2 in babel? by Albert
5
by Geoff Hutchison
Obconformer / Obminimize by bossarom
0
by bossarom
Unable to import pybel in Python by Dan Smith
7
by Dan Smith
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