openbabel-discuss  

Messages by Date

• 2014/01/07 [Open Babel] Quantum Espresso pwscf format conversion problem Otto Kohulák
• 2014/01/06 Re: [Open Babel] Examples of Openbabel fast substructure searching Noel O'Boyle
• 2014/01/06 [Open Babel] Examples of Openbabel fast substructure searching Mark Forster
• 2014/01/05 Re: [Open Babel] [OpenBabel-scripting] question about pybel for python 3.x Dimitri Maziuk
• 2014/01/04 Re: [Open Babel] [OpenBabel-scripting] question about pybel for python 3.x S Joshua Swamidass
• 2014/01/04 Re: [Open Babel] [OpenBabel-scripting] question about pybel for python 3.x David Hall
• 2014/01/03 Re: [Open Babel] [OpenBabel-scripting] question about pybel for python 3.x S Joshua Swamidass
• 2014/01/03 Re: [Open Babel] [OpenBabel-scripting] question about pybel for python 3.x S Joshua Swamidass
• 2014/01/03 Re: [Open Babel] drawing coordinates Dimitri Maziuk
• 2014/01/03 [Open Babel] drawing coordinates Dimitri Maziuk
• 2014/01/02 Re: [Open Babel] Pybel on Python3 + Mavericks Geoffrey Hutchison
• 2014/01/02 Re: [Open Babel] Pybel on Python3 + Mavericks Noel O'Boyle
• 2014/01/02 Re: [Open Babel] Pybel on Python3 + Mavericks Geoffrey Hutchison
• 2014/01/02 Re: [Open Babel] [OpenBabel-scripting] question about pybel for python 3.x Geoffrey Hutchison
• 2014/01/02 Re: [Open Babel] [OpenBabel-scripting] question about pybel for python 3.x Geoffrey Hutchison
• 2014/01/01 Re: [Open Babel] Pybel on Python3 + Mavericks Patrick Fuller
• 2014/01/01 Re: [Open Babel] Pybel on Python3 + Mavericks Geoffrey Hutchison
• 2014/01/01 Re: [Open Babel] Pybel on Python3 + Mavericks Noel O'Boyle
• 2014/01/01 Re: [Open Babel] Pybel on Python3 + Mavericks Geoffrey Hutchison
• 2014/01/01 [Open Babel] Pybel on Python3 + Mavericks Patrick Fuller
• 2013/12/30 Re: [Open Babel] [OpenBabel-scripting] question about pybel for python 3.x S Joshua Swamidass
• 2013/12/29 Re: [Open Babel] Problem for compiling the example files Igor Leontyev
• 2013/12/28 Re: [Open Babel] [OpenBabel-scripting] question about pybel for python 3.x Noel O'Boyle
• 2013/12/27 Re: [Open Babel] [OpenBabel-scripting] question about pybel for python 3.x Geoffrey Hutchison
• 2013/12/27 Re: [Open Babel] [OpenBabel-scripting] question about pybel for python 3.x S Joshua Swamidass
• 2013/12/27 Re: [Open Babel] [OpenBabel-scripting] question about pybel for python 3.x Geoffrey Hutchison
• 2013/12/24 Re: [Open Babel] --nconf problem Geoffrey Hutchison
• 2013/12/24 [Open Babel] --nconf problem Mezei, Mihaly
• 2013/12/24 Re: [Open Babel] CIF Symmetry Operations to XYZ Geoffrey Hutchison
• 2013/12/19 Re: [Open Babel] Converting CIFs to mols using OpenBabel Miguel Quirós Olozábal
• 2013/12/18 [Open Babel] Opening available for maintainer of Open Babel Google+ Page Noel O'Boyle
• 2013/12/18 Re: [Open Babel] Converting CIFs to mols using OpenBabel Geoffrey Hutchison
• 2013/12/17 Re: [Open Babel] request for feature in open babel Noel O'Boyle
• 2013/12/16 [Open Babel] request for feature in open babel Francois Berenger
• 2013/12/16 Re: [Open Babel] Openbabel broken molecules rpordeus
• 2013/12/16 Re: [Open Babel] Openbabel broken molecules rpordeus
• 2013/12/16 [Open Babel] CIF Symmetry Operations to XYZ ezshay
• 2013/12/13 Re: [Open Babel] Converting CIFs to mols using OpenBabel mquiros
• 2013/12/13 Re: [Open Babel] Converting CIFs to mols using OpenBabel Geoffrey Hutchison
• 2013/12/13 Re: [Open Babel] Bindings - first and last molecule option Maciek Wójcikowski
• 2013/12/13 [Open Babel] Acid partial charge starting from mol2 Pascal Muller
• 2013/12/12 Re: [Open Babel] Converting CIFs to mols using OpenBabel daya
• 2013/12/12 Re: [Open Babel] Bindings - first and last molecule option Maciek Wójcikowski
• 2013/12/12 Re: [Open Babel] Converting CIFs to mols using OpenBabel Noel O'Boyle
• 2013/12/12 Re: [Open Babel] Converting CIFs to mols using OpenBabel Miguel Quirós Olozábal
• 2013/12/11 Re: [Open Babel] Openbabel broken molecules Craig James
• 2013/12/11 [Open Babel] Openbabel broken molecules rpordeus
• 2013/12/10 Re: [Open Babel] Converting CIFs to mols using OpenBabel Dimitri Maziuk
• 2013/12/10 Re: [Open Babel] Converting CIFs to mols using OpenBabel Geoffrey Hutchison
• 2013/12/10 Re: [Open Babel] Converting CIFs to mols using OpenBabel daya
• 2013/12/10 Re: [Open Babel] Converting CIFs to mols using OpenBabel daya
• 2013/12/10 Re: [Open Babel] Converting CIFs to mols using OpenBabel Noel O'Boyle
• 2013/12/10 Re: [Open Babel] Converting CIFs to mols using OpenBabel Noel O'Boyle
• 2013/12/09 Re: [Open Babel] error in installation David Hall
• 2013/12/09 [Open Babel] error in installation Gaurav Pandey
• 2013/12/09 Re: [Open Babel] about UFF expression in OB fidel mackenzie
• 2013/12/09 Re: [Open Babel] Converting CIFs to mols using OpenBabel Dimitri Maziuk
• 2013/12/09 [Open Babel] Converting CIFs to mols using OpenBabel daya
• 2013/12/07 Re: [Open Babel] about UFF expression in OB Geoffrey Hutchison
• 2013/12/05 Re: [Open Babel] Java API: setting OBConformerScore will crash application Joos Kiener
• 2013/12/05 Re: [Open Babel] stereo config question Tim Vandermeersch
• 2013/12/05 Re: [Open Babel] Java API: setting OBConformerScore will crash application Noel O'Boyle
• 2013/12/05 Re: [Open Babel] stereo config question Yoel
• 2013/12/05 Re: [Open Babel] stereo config question Noel O'Boyle
• 2013/12/05 Re: [Open Babel] about UFF expression in OB Geoffrey Hutchison
• 2013/12/05 [Open Babel] 3D builder fails for mixtures Martin Guetlein
• 2013/12/05 [Open Babel] about UFF expression in OB fidel mackenzie
• 2013/12/05 Re: [Open Babel] 3D builder fails for mixtures Martin Guetlein
• 2013/12/05 Re: [Open Babel] stereo config question Yoel
• 2013/12/04 Re: [Open Babel] Bindings - first and last molecule option Geoffrey Hutchison
• 2013/12/04 Re: [Open Babel] stereo config question Tim Vandermeersch
• 2013/12/04 Re: [Open Babel] stereo config question Yoel
• 2013/12/04 Re: [Open Babel] stereo config question Ana Teixeira
• 2013/12/04 Re: [Open Babel] stereo config question Dimitri Maziuk
• 2013/12/04 Re: [Open Babel] stereo config question Craig James
• 2013/12/04 Re: [Open Babel] stereo config question Yoel
• 2013/12/04 Re: [Open Babel] Bindings - first and last molecule option Maciek Wójcikowski
• 2013/12/04 Re: [Open Babel] stereo config question Noel O'Boyle
• 2013/12/03 Re: [Open Babel] Java API: setting OBConformerScore will crash application Joos Kiener
• 2013/12/03 Re: [Open Babel] stereo config question Yoel
• 2013/12/03 Re: [Open Babel] stereo config question Craig James
• 2013/12/03 Re: [Open Babel] stereo config question Yoel
• 2013/12/03 Re: [Open Babel] stereo config question Yoel
• 2013/12/03 Re: [Open Babel] stereo config question Geoffrey Hutchison
• 2013/12/03 Re: [Open Babel] stereo config question Yoel
• 2013/12/03 Re: [Open Babel] stereo config question Craig James
• 2013/12/03 Re: [Open Babel] stereo config question Dimitri Maziuk
• 2013/12/03 Re: [Open Babel] Bindings - first and last molecule option Geoffrey Hutchison
• 2013/12/03 Re: [Open Babel] stereo config question Yoel
• 2013/12/03 Re: [Open Babel] Bindings - first and last molecule option Chris Morley
• 2013/12/03 Re: [Open Babel] stereo config question Craig James
• 2013/12/03 Re: [Open Babel] stereo config question Yoel
• 2013/12/03 Re: [Open Babel] stereo config question Yoel
• 2013/12/03 Re: [Open Babel] stereo config question Dimitri Maziuk
• 2013/12/03 Re: [Open Babel] stereo config question Yoel
• 2013/12/03 Re: [Open Babel] stereo config question Yoel
• 2013/12/03 Re: [Open Babel] stereo config question Dimitri Maziuk
• 2013/12/03 Re: [Open Babel] stereo config question Noel O'Boyle
• 2013/12/03 Re: [Open Babel] stereo config question Yoel
• 2013/12/03 Re: [Open Babel] stereo config question Dimitri Maziuk
• 2013/12/03 Re: [Open Babel] stereo config question Yoel
• 2013/12/03 Re: [Open Babel] Bindings - first and last molecule option Geoffrey Hutchison
• 2013/12/03 Re: [Open Babel] Bindings - first and last molecule option Maciek Wójcikowski
• 2013/12/03 Re: [Open Babel] Bindings - first and last molecule option Dimitri Maziuk
• 2013/12/03 Re: [Open Babel] Java API: setting OBConformerScore will crash application Noel O'Boyle
• 2013/12/03 [Open Babel] Bindings - first and last molecule option Maciek Wójcikowski
• 2013/12/03 [Open Babel] Fw: small molecule restraints in mmcif format MARIA BRANDL
• 2013/12/02 Re: [Open Babel] Java API: setting OBConformerScore will crash application Joos Kiener
• 2013/12/02 [Open Babel] count polar and non polar atoms Francois Berenger
• 2013/12/02 Re: [Open Babel] Java API: setting OBConformerScore will crash application Joos Kiener
• 2013/12/02 Re: [Open Babel] Java API: setting OBConformerScore will crash application Geoffrey Hutchison
• 2013/12/02 Re: [Open Babel] Java API: setting OBConformerScore will crash application Joos Kiener
• 2013/12/02 Re: [Open Babel] (no subject) Craig James
• 2013/12/02 Re: [Open Babel] (no subject) Geoffrey Hutchison
• 2013/12/02 [Open Babel] (no subject) Otto Kohulák
• 2013/12/02 Re: [Open Babel] Java API: setting OBConformerScore will crash application Joos Kiener
• 2013/12/02 Re: [Open Babel] Java API: setting OBConformerScore will crash application Noel O'Boyle
• 2013/12/02 Re: [Open Babel] Java API: setting OBConformerScore will crash application Joos Kiener
• 2013/11/30 Re: [Open Babel] Java API: setting OBConformerScore will crash application Noel O'Boyle
• 2013/11/30 [Open Babel] Java API: setting OBConformerScore will crash application Joos Kiener
• 2013/11/28 Re: [Open Babel] smiles output includes input filename Noel O'Boyle
• 2013/11/28 Re: [Open Babel] smiles output includes input filename Dimitri Maziuk
• 2013/11/27 Re: [Open Babel] smiles output includes input filename Geoffrey Hutchison
• 2013/11/27 Re: [Open Babel] smiles output includes input filename Craig James
• 2013/11/27 Re: [Open Babel] smiles output includes input filename Dimitri Maziuk
• 2013/11/27 Re: [Open Babel] smiles output includes input filename Geoffrey Hutchison
• 2013/11/27 Re: [Open Babel] smiles output includes input filename Noel O'Boyle
• 2013/11/27 Re: [Open Babel] smiles output includes input filename Dimitri Maziuk
• 2013/11/27 Re: [Open Babel] smiles output includes input filename Igor Filippov
• 2013/11/27 Re: [Open Babel] smiles output includes input filename Dimitri Maziuk
• 2013/11/27 Re: [Open Babel] smiles output includes input filename Igor Filippov
• 2013/11/27 [Open Babel] smiles output includes input filename Dimitri Maziuk
• 2013/11/27 Re: [Open Babel] User defined 'mask' for data import C Anthony Lewis
• 2013/11/25 Re: [Open Babel] User defined 'mask' for data import Noel O'Boyle
• 2013/11/25 [Open Babel] User defined 'mask' for data import C Anthony Lewis
• 2013/11/23 Re: [Open Babel] Problem for compiling the example files Nicolas Cheron
• 2013/11/23 [Open Babel] Open Babel GUI - Output disconnected fragments separately eddie kehoe
• 2013/11/22 Re: [Open Babel] Conversion of 2D SDF to 3D SDF in Perl Geoffrey Hutchison
• 2013/11/22 Re: [Open Babel] Conversion of 2D SDF to 3D SDF in Perl Wallace Chan
• 2013/11/22 Re: [Open Babel] Conversion of 2D SDF to 3D SDF in Perl Geoffrey Hutchison
• 2013/11/22 Re: [Open Babel] Conversion of 2D SDF to 3D SDF in Perl Noel O'Boyle
• 2013/11/22 [Open Babel] Conversion of 2D SDF to 3D SDF in Perl Wallace Chan
• 2013/11/22 [Open Babel] OBConformerSearch -> turn off logging beginner_
• 2013/11/22 Re: [Open Babel] Using obabel to filter ligands by number of rotatable bonds Noel O'Boyle
• 2013/11/22 Re: [Open Babel] Using obabel to filter ligands by number of rotatable bonds Pascal Muller
• 2013/11/22 Re: [Open Babel] Adding Property to molecule and write to sd-file beginner_
• 2013/11/21 [Open Babel] Using obabel to filter ligands by number of rotatable bonds Dennis N Bromley
• 2013/11/21 Re: [Open Babel] Fwd: Openbabel system library compiled for Centos Dimitri Maziuk
• 2013/11/21 Re: [Open Babel] Fwd: Openbabel system library compiled for Centos Noel O'Boyle
• 2013/11/21 Re: [Open Babel] Adding Property to molecule and write to sd-file Noel O'Boyle
• 2013/11/21 Re: [Open Babel] Generating 3D SDF from InChI with Perl Wallace Chan
• 2013/11/21 [Open Babel] Issue when using Java API in Netbeans beginner_
• 2013/11/21 Re: [Open Babel] Generating 3D SDF from InChI with Perl Wallace Chan
• 2013/11/21 Re: [Open Babel] Issue when using Java API in Netbeans Craig James
• 2013/11/21 Re: [Open Babel] Adding Property to molecule and write to sd-file beginner_
• 2013/11/21 [Open Babel] Adding Property to molecule and write to sd-file beginner_
• 2013/11/21 Re: [Open Babel] Openbabel system library compiled for Centos Reinis Danne
• 2013/11/21 [Open Babel] Fwd: Openbabel system library compiled for Centos Craig James
• 2013/11/21 Re: [Open Babel] Openbabel system library compiled for Centos Rajesh
• 2013/11/20 Re: [Open Babel] Announcement: ChemicalToolBox bjoern.gruen...@googlemail.com
• 2013/11/20 Re: [Open Babel] Fwd: stereo config Dimitri Maziuk
• 2013/11/20 Re: [Open Babel] Fwd: stereo config Craig James
• 2013/11/20 Re: [Open Babel] Fwd: stereo config Dimitri Maziuk
• 2013/11/20 Re: [Open Babel] Announcement: ChemicalToolBox Noel O'Boyle
• 2013/11/19 [Open Babel] Announcement: ChemicalToolBox bjoern.gruen...@googlemail.com
• 2013/11/19 Re: [Open Babel] Openbabel system library compiled for Centos Dimitri Maziuk
• 2013/11/19 [Open Babel] baPHPel Maciek Wójcikowski
• 2013/11/19 Re: [Open Babel] Openbabel system library compiled for Centos Craig James
• 2013/11/19 [Open Babel] Openbabel system library compiled for Centos H Rajesh
• 2013/11/19 Re: [Open Babel] stereo config question Dimitri Maziuk
• 2013/11/19 Re: [Open Babel] Problem for compiling the example files Noel O'Boyle
• 2013/11/19 Re: [Open Babel] Problem for compiling the example files rafel israels
• 2013/11/19 Re: [Open Babel] Problem for compiling the example files Noel O'Boyle
• 2013/11/19 Re: [Open Babel] Problem for compiling the example files Nicolas Cheron
• 2013/11/19 Re: [Open Babel] stereo config question Noel O'Boyle
• 2013/11/18 [Open Babel] Fwd: stereo config Craig James
• 2013/11/18 [Open Babel] stereo config question Dimitri Maziuk
• 2013/11/18 Re: [Open Babel] stereo config Dimitri Maziuk
• 2013/11/18 Re: [Open Babel] isotopes Dimitri Maziuk
• 2013/11/18 Re: [Open Babel] isotopes Dimitri Maziuk
• 2013/11/18 Re: [Open Babel] isotopes Geoffrey Hutchison
• 2013/11/18 Re: [Open Babel] isotopes Dimitri Maziuk
• 2013/11/18 Re: [Open Babel] isotopes Geoffrey Hutchison
• 2013/11/18 Re: [Open Babel] stereo config Geoffrey Hutchison
• 2013/11/17 Re: [Open Babel] stereo config Dimitri Maziuk
• 2013/11/17 Re: [Open Babel] stereo config Geoffrey Hutchison
• 2013/11/16 Re: [Open Babel] stereo config Dimitri Maziuk
• 2013/11/16 Re: [Open Babel] stereo config Dimitri Maziuk
• 2013/11/16 [Open Babel] Announcement - R interface for OpenBabel Thomas Girke
• 2013/11/16 Re: [Open Babel] stereo config Noel O'Boyle
• 2013/11/15 [Open Babel] stereo config Dimitri Maziuk
• 2013/11/14 Re: [Open Babel] Generating 3D SDF from InChI with Perl Geoffrey Hutchison
• 2013/11/14 Re: [Open Babel] Generating 3D SDF from InChI with Perl Wallace Chan
• 2013/11/14 Re: [Open Babel] isotopes Dimitri Maziuk
• 2013/11/14 Re: [Open Babel] Generating 3D SDF from InChI with Perl Geoffrey Hutchison
• 2013/11/14 Re: [Open Babel] Generating 3D SDF from InChI with Perl Wallace Chan
• 2013/11/14 Re: [Open Babel] isotopes Dimitri Maziuk
• 2013/11/14 Re: [Open Babel] Problem for compiling the example files Nicolas Cheron
• 2013/11/14 Re: [Open Babel] isotopes David Hall
• 2013/11/13 Re: [Open Babel] isotopes Dimitri Maziuk

• Earlier messages
• Later messages