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Thread (1040 Threads) Rating Replies Last Message Child Forum

Filter PDB with COMPND Identifier by Jack Shultz-2
3
by Jack Shultz-2

Obminimize by Vinay M-2
1
by Geoffrey Hutchison-5

ResidueIter for Perl?? by InSuk Joung
1
by Geoffrey Hutchison-5

How to change serial numbers of atoms? by InSuk Joung
0
by InSuk Joung

New chemical software by remy d1
1
by Geoffrey Hutchison-5

Open Babel Error in reading PDB file by Sheng-Hung Wang
2
by Geoffrey Hutchison-5

scripts/perl/Makefile.PL by InSuk Joung
0
by InSuk Joung

problem with python bindings for openbabel by Carla Ng
1
by baoilleach

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 M-2
1
by Igor Filippov-2

Re: OpenBabel OBLogP for Perl by Geoffrey Hutchison-3
0
by Geoffrey Hutchison-3

Fw: extracting coordinates by Andy D P
1
by baoilleach

Is RXN format is still supported by Charlie Zhu
3
by Charlie Zhu

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
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