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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Sub-Forums & Topics (959)
Replies Last Post Views
Open Babel Error in reading PDB file by Sheng-Hung Wang
2
by Geoffrey Hutchison
SMARTS with optional branches by Andreas Maunz-2
8
by Andrew Dalke
Why Openbabel output non-standard MDL Molfile (SDF) format? by Charlie Zhu
3
by Ernst-Georg Schmid
SMI to SDF - Conversion by vinay
1
by Igor Filippov
Re: OpenBabel OBLogP for Perl by Geoffrey Hutchison-3
0
by Geoffrey Hutchison-3
Fw: extracting coordinates by Andy D P
1
by Noel O'Boyle
Is RXN format is still supported by Charlie Zhu
3
by Charlie Zhu
SMARTS to SMILES by vinay
7
by Craig James-2
MSVCR80.dll error by Rob Soe
6
by Tim Vandermeersch
installing open babel on cygwin failed by Jana Kneslova
2
by Noel O'Boyle
Obrotate by Pascal Muller-3
0
by Pascal Muller-3
maplist by Andy D P
1
by Noel O'Boyle
Obrotamer by vinay
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by vinay
Fwd: Convert CDX file to sdf file by Geoffrey Hutchison
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by Geoffrey Hutchison
[SPAM] error: invalid use of member (did you forget the `&' ?) BUt find the way to fix it by Bing Xiong
1
by Geoffrey Hutchison
dative bonds by RK11
1
by Geoffrey Hutchison
Molar Refractivity - by vinay
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by vinay
Filtering the functional groups by vinay
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by vinay
(no subject) by vinay
1
by Craig James-2
(no subject) by vinay
0
by vinay
(no subject) by vinay
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by vinay
Fingerprints by vinay
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by vinay
SMARTS- functional group by vinay
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by vinay
babel : cannot read input format (any of them!) by Elodie Salager
2
by Elodie Salager
Creating mopac.dat with openbabel by Steffen Neumann
1
by Mathias W.
split a multiple-structure file in multiple single-structure file by oscar.rivera
2
by Geoffrey Hutchison
(no subject) by vinay
1
by Craig James-2
(no subject) by vinay
1
by Geoffrey Hutchison
(no subject) by vinay
1
by Noel O'Boyle
OBAtom::GetType() ?? by B.W.H. van Beest
1
by Noel O'Boyle
Re: Get mol2 file from obminimize by Izhar Wallach
0
by Izhar Wallach
ANNOUNCE: Avogadro 1.0 Release by Geoffrey Hutchison-3
0
by Geoffrey Hutchison-3
OBRing _path "circular"? by Craig James-2
0
by Craig James-2
Get mol2 file from obminimize by Manuel Hechinger
6
by Tim Vandermeersch
SMARTS expression test set by Christian E
6
by Andrew Dalke
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