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Open Babel

Open Babel is a cross-platform program and library designed to interconvert between many file formats used all branches of chemistry. Find out more at http://openbabel.org.
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Topics (3499)
Replies Last Post Views Sub Forum
Release candidates for Windows: GUI and Python by Noel O'Boyle
0
by Noel O'Boyle
openbabel-devel
loss of stereochemistry after protonization by Sam Tonddast-Navaei
0
by Sam Tonddast-Navaei
General discussion
install of open babel for pymol under window 10 - BABEL_DATADIR issues?? by Thomas Ryckmans
6
by eolmon
General discussion
possibly a bug in smiles format by NakataMaho
6
by NakataMaho
openbabel-devel
Re: possibly a bug: no spin multiplicity in S, K by NakataMaho
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by NakataMaho
openbabel-devel
Carbon with 5 bonds by Stefano Forli
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by Stefano Forli
openbabel-devel
How to enumerate all possible stereoisomers of a molecule with a not defined stereocenter? by Giovanni Cincilla
3
by Giovanni Cincilla
General discussion
Re: error: ?std::tr1? has not been declared using #std::tr1::shared_ptr by Torsten Sachse
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by Torsten Sachse
General discussion
error: ‘std::tr1’ has not been declared using std::tr1::shared_ptr by riccardo innocenti
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by riccardo innocenti
General discussion
Implicit copy constructor by Mohammad Ghahremanpo...
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by Geoff Hutchison
openbabel-devel
Converting PDB to SMILES and matching atom orders by Sam Tonddast-Navaei
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by Sam Tonddast-Navaei
General discussion
tutorials on small molecule energy minimization and substructure searching by Benji Horning
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by mirix
General discussion
problem with requesting for git pull by Mohammad Ghahremanpo...
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by Noel O'Boyle
openbabel-devel
my email address by Jo Boehm
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by Jo Boehm
General discussion
Filter PDB with COMPND Identifier by Jack Shultz-2
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by online
new MacroMolecular Transmission Format (MMTF) by Stefano Forli
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by Stefano Forli
openbabel-devel
Atomic charge changed during conversion from pdb to mol2 by samdani
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by Noel O'Boyle
General discussion
Command line help for protonation by Stuart
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by Pascal Muller-3
General discussion
Diamine Oxidase by susanrey
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by susanrey
General discussion
Open Babel 2.3 unable to filter batch SDF files on basis of logP and ROTATABLE_BOND by baccilus
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by Geoff Hutchison
General discussion
2.3.2 release: make test errors (isomorphism, rotor, pytest). by David García Aristeg...
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by Noel O'Boyle
General discussion
java openbabel help by wfeng1280
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by wfeng1280
General discussion
New Windows User having problems with Openbabel (not sure if the first posting worked) by Stuart
1
by Geoff Hutchison
General discussion
Cannot understand the element label Du. by jrhaulung
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by mirix
General discussion
Re: Ligand Information losing during splitting of large dataset by Geoff Hutchison
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by Geoff Hutchison
General discussion
Problem in Open babel, when in working with Mesmer 4.1 by Sourav Ghoshal
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by Noel O'Boyle
General discussion
Re: [InChI-discuss] Fw: inchi numbering of pro-chiral protons by Noel O'Boyle
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by Noel O'Boyle
General discussion
Generating all cis-trans stereoisomers by cgram
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by Noel O'Boyle
General discussion
Pybel Attribute error with 'delete_vectorULong' by asood
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by Noel O'Boyle
General discussion
obconformer by bossarom
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by Geoff Hutchison
General discussion
obminimize by bossarom
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by Geoff Hutchison
General discussion
Re: [Open Babel] GAFF2 in babel? by Geoff Hutchison
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by Geoff Hutchison
openbabel-devel
GAFF2 in babel? by Albert
5
by Geoff Hutchison
General discussion
Using Chemistry::OpenBabel::OBDescriptor::FindType in Perl by David Rose-9
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by David Rose-9
openbabel-scripting
Obconformer / Obminimize by bossarom
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by bossarom
General discussion
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