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Open Babel

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OpenBabel is a project designed to pick up where Babel left off, as a cross-platform program and library designed to interconvert between many file formats used in molecular modeling and computational chemistry. Open Babel home is here.
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Thread (974 Threads) Rating Replies Last Message Child Forum

Is RXN format is still supported by Charlie Zhu
2
by Chris Morley

SMARTS to SMILES by Vinay M-2
7
by Craig A. James-2

MSVCR80.dll error by Rob Soe
6
by Tim Vandermeersch

installing open babel on cygwin failed by Jana Kneslova
2
by baoilleach

Obrotate by Pascal Muller-3
0
by Pascal Muller-3

maplist by Andy D P
1
by baoilleach

Obrotamer by Vinay M-2
0
by Vinay M-2

Fwd: Convert CDX file to sdf file by Geoffrey Hutchison-5
0
by Geoffrey Hutchison-5

[SPAM] error: invalid use of member (did you forget the `&' ?) BUt find the way to fix it by Bing Xiong
1
by Geoffrey Hutchison-5

Convert CDX file to sdf file by tejal.shah
1
by Geoffrey Hutchison-5

Access violation exception when reading/writing xml formats by Matt Sprague
3
by Chris Morley

dative bonds by RK11
1
by Geoffrey Hutchison-5

InChi generation options by yezrewot
5
by Charlie Zhu

Molar Refractivity - by Vinay M-2
0
by Vinay M-2

Filtering the functional groups by Vinay M-2
0
by Vinay M-2

(no subject) by Vinay M-2
1
by Craig A. James-2

(no subject) by Vinay M-2
0
by Vinay M-2

(no subject) by Vinay M-2
0
by Vinay M-2

Fingerprints by Vinay M-2
0
by Vinay M-2

SMARTS- functional group by Vinay M-2
0
by Vinay M-2

babel : cannot read input format (any of them!) by Elodie Salager
2
by Elodie Salager

Creating mopac.dat with openbabel by sneumann-2
1
by Mathias Weigt

split a multiple-structure file in multiple single-structure file by oscar.rivera
2
by Geoffrey Hutchison-5

(no subject) by Vinay M-2
1
by Craig A. James-2

(no subject) by Vinay M-2
1
by Geoffrey Hutchison-5

(no subject) by Vinay M-2
1
by baoilleach

OBAtom::GetType() ?? by B.W.H. van Beest
1
by baoilleach

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 A. James-2
0
by Craig A. James-2

Counting rotors by Richard West-2
1
by Geoffrey Hutchison-5

Get mol2 file from obminimize by Manuel Hechinger
6
by Tim Vandermeersch

SMARTS expression test set by Christian E
6
by Andrew Dalke

A question about conversion from SDF into PDB by langren-2
1
by baoilleach

some problems when build the openbabel by Eric Zhou-2
1
by baoilleach
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