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 (3490)
Replies Last Post Views Sub Forum
change charge of a atom in a OBMol by xh s
1
by Noel O'Boyle
General discussion
In the success of the Blues by anttiraant
0
by anttiraant
General discussion
Including molecular charge when converting xyz to SMILES by Jan Halborg Jensen
1
by Geoff Hutchison
General discussion
Calculating fingerprints of a list of SMILES by Mehmet Aziz YIRIK
1
by Andrew Dalke
General discussion
BEP: Proposal for removal of Kekule and Aromatic Bond Orders by Noel O'Boyle
0
by Noel O'Boyle
openbabel-devel
(no subject) by Tife Awonaike
1
by Noel O'Boyle
General discussion
Cloud Computing by cloud0029
0
by cloud0029
General discussion
laundry service by raman0029
0
by raman0029
General discussion
how to use the new ECFP<n> fingerprints? by Andrew Dalke
5
by Andrew Dalke
General discussion
GreenLine Trading company by rocky0029
0
by rocky0029
General discussion
Cashback software by leony0029
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by leony0029
General discussion
Does openbabel (python wrapper) affect cairo and ruin it ? by 杨弘宾
1
by Noel O'Boyle
General discussion
Conformational search by Mohammad Goodarzi
2
by news444
General discussion
Openbabel to work with optimize command in pymol by Bhattacharjee, Arnab
4
by supremepack
General discussion
Moving trackers from SF to GitHub by Noel O'Boyle
0
by Noel O'Boyle
openbabel-devel
wrong by Jan Halborg Jensen
5
by taxiservices
General discussion
Positive values of Energy (python) by Filip Stefaniak
2
by homeopathynews
General discussion
Conversion : CML to SDF by Sebastien
3
by design
General discussion
error message in the installation test by Cecile Valsecchi
1
by shopping
General discussion
SMARTS search query by Gravestock David GBJ...
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by teamouting
General discussion
how to add matrix3x3 data to OBAtom by ivan.petit
2
by shabdaclinic
General discussion
Tell Us Your Story about You and Your Proteins by creativebiom
0
by creativebiom
General discussion
API/ABI changes review for OpenBabel by Andrey Ponomarenko
1
by Noel O'Boyle
openbabel-devel
Mailing list change proposal by Noel O'Boyle
3
by Geoff Hutchison
openbabel-devel
problem with open babel install by Yue Qian
1
by David Hall
General discussion
Using pybel.readstring() and using pybel in Python 2.7 by Quim Aguirre
3
by Fredrik Wallner
General discussion
Convenience functions by Noel O'Boyle
12
by Stefano Forli
openbabel-devel
Change to SMILES writer for hypervalent atoms by Noel O'Boyle
6
by Noel O'Boyle
openbabel-devel
Use openbabel conformer search in python by i4hashmi
0
by i4hashmi
General discussion
open babel source installation - issues by Karim Rafie (PG Rese...
5
by Karim Rafie (PG Rese...
General discussion
Proposal to overhaul/replace OBElementTable by Noel O'Boyle
3
by Noel O'Boyle
openbabel-devel
determine in code the pdb atom name of an OBAtom by John Baxter
3
by John Baxter
General discussion
question regarding smiles string by 宋堃
1
by Pascal Muller-3
General discussion
Proposal to remove all duplicated std::string versus const char* methods by Noel O'Boyle
0
by Noel O'Boyle
openbabel-devel
Migrating bugs, features from SourceForge to GitHub by Geoff Hutchison
1
by Noel O'Boyle
openbabel-devel
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