openbabel-discuss  

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• [Open Babel] request for feature in open babel Francois Berenger
  • Re: [Open Babel] request for feature in open babel Noel O'Boyle
• [Open Babel] CIF Symmetry Operations to XYZ ezshay
  • Re: [Open Babel] CIF Symmetry Operations to XYZ Geoffrey Hutchison
• [Open Babel] Acid partial charge starting from mol2 Pascal Muller
• [Open Babel] Openbabel broken molecules rpordeus
  • Re: [Open Babel] Openbabel broken molecules Craig James
  • Re: [Open Babel] Openbabel broken molecules rpordeus
  • Re: [Open Babel] Openbabel broken molecules rpordeus
• [Open Babel] error in installation Gaurav Pandey
  • Re: [Open Babel] error in installation David Hall
• [Open Babel] Converting CIFs to mols using OpenBabel daya
  • Re: [Open Babel] Converting CIFs to mols using OpenBabel Dimitri Maziuk
  • Re: [Open Babel] Converting CIFs to mols using OpenBabel daya
  • Re: [Open Babel] Converting CIFs to mols using OpenBabel Geoffrey Hutchison
  • Re: [Open Babel] Converting CIFs to mols using OpenBabel Dimitri Maziuk
  • Re: [Open Babel] Converting CIFs to mols using OpenBabel Noel O'Boyle
  • Re: [Open Babel] Converting CIFs to mols using OpenBabel Noel O'Boyle
  • Re: [Open Babel] Converting CIFs to mols using OpenBabel daya
  • Re: [Open Babel] Converting CIFs to mols using OpenBabel Noel O'Boyle
  • Re: [Open Babel] Converting CIFs to mols using OpenBabel Miguel Quirós Olozábal
  • Re: [Open Babel] Converting CIFs to mols using OpenBabel daya
  • Re: [Open Babel] Converting CIFs to mols using OpenBabel Geoffrey Hutchison
  • Re: [Open Babel] Converting CIFs to mols using OpenBabel mquiros
  • Re: [Open Babel] Converting CIFs to mols using OpenBabel Geoffrey Hutchison
  • Re: [Open Babel] Converting CIFs to mols using OpenBabel Miguel Quirós Olozábal
  • Re: [Open Babel] Converting CIFs to mols using OpenBabel Miguel Quirós Olozábal
• [Open Babel] 3D builder fails for mixtures Martin Guetlein
  • Re: [Open Babel] 3D builder fails for mixtures Martin Guetlein
• [Open Babel] about UFF expression in OB fidel mackenzie
  • Re: [Open Babel] about UFF expression in OB Geoffrey Hutchison
  • Re: [Open Babel] about UFF expression in OB Geoffrey Hutchison
  • Re: [Open Babel] about UFF expression in OB fidel mackenzie
• [Open Babel] Bindings - first and last molecule option Maciek Wójcikowski
  • Re: [Open Babel] Bindings - first and last molecule option Dimitri Maziuk
  • Re: [Open Babel] Bindings - first and last molecule option Maciek Wójcikowski
  • Re: [Open Babel] Bindings - first and last molecule option Geoffrey Hutchison
  • Re: [Open Babel] Bindings - first and last molecule option Chris Morley
  • Re: [Open Babel] Bindings - first and last molecule option Geoffrey Hutchison
  • Re: [Open Babel] Bindings - first and last molecule option Maciek Wójcikowski
  • Re: [Open Babel] Bindings - first and last molecule option Geoffrey Hutchison
  • Re: [Open Babel] Bindings - first and last molecule option Maciek Wójcikowski
  • Re: [Open Babel] Bindings - first and last molecule option Maciek Wójcikowski
• [Open Babel] Fw: small molecule restraints in mmcif format MARIA BRANDL
• [Open Babel] count polar and non polar atoms Francois Berenger
• [Open Babel] (no subject) Otto Kohulák
  • Re: [Open Babel] (no subject) Geoffrey Hutchison
  • Re: [Open Babel] (no subject) Craig James
  • [Open Babel] (no subject) Noushin hadadi
  • Re: [Open Babel] (no subject) Geoffrey Hutchison
  • [Open Babel] (no subject) Tife Awonaike
  • Re: [Open Babel] (no subject) Noel O'Boyle
  • [Open Babel] (no subject) Marcos Villarreal
  • Re: [Open Babel] (no subject) Noel O'Boyle
  • Re: [Open Babel] (no subject) Marcos Villarreal
  • Re: [Open Babel] (no subject) Noel O'Boyle
  • Re: [Open Babel] (no subject) Noel O'Boyle
  • Re: [Open Babel] (no subject) Marcos Villarreal
  • Re: [Open Babel] (no subject) Geoffrey Hutchison
  • Re: [Open Babel] (no subject) Marcos Villarreal
  • Re: [Open Babel] (no subject) Dimitri Maziuk
  • Re: [Open Babel] (no subject) Miro Moman
  • Re: [Open Babel] (no subject) Marcos Villarreal
  • [Open Babel] (no subject) rekha kandula
  • Re: [Open Babel] (no subject) Geoffrey Hutchison
  • [Open Babel] (no subject) 张普
  • [Open Babel] (no subject) Markus Grimm via OpenBabel-discuss
• [Open Babel] Java API: setting OBConformerScore will crash application Joos Kiener
  • Re: [Open Babel] Java API: setting OBConformerScore will crash application Noel O'Boyle
  • Re: [Open Babel] Java API: setting OBConformerScore will crash application Joos Kiener
  • Re: [Open Babel] Java API: setting OBConformerScore will crash application Noel O'Boyle
  • Re: [Open Babel] Java API: setting OBConformerScore will crash application Joos Kiener
  • Re: [Open Babel] Java API: setting OBConformerScore will crash application Joos Kiener
  • Re: [Open Babel] Java API: setting OBConformerScore will crash application Geoffrey Hutchison
  • Re: [Open Babel] Java API: setting OBConformerScore will crash application Joos Kiener
  • Re: [Open Babel] Java API: setting OBConformerScore will crash application Joos Kiener
  • Re: [Open Babel] Java API: setting OBConformerScore will crash application Noel O'Boyle
  • Re: [Open Babel] Java API: setting OBConformerScore will crash application Joos Kiener
  • Re: [Open Babel] Java API: setting OBConformerScore will crash application Noel O'Boyle
  • Re: [Open Babel] Java API: setting OBConformerScore will crash application Joos Kiener
• [Open Babel] smiles output includes input filename Dimitri Maziuk
  • Re: [Open Babel] smiles output includes input filename Igor Filippov
  • Re: [Open Babel] smiles output includes input filename Dimitri Maziuk
  • Re: [Open Babel] smiles output includes input filename Igor Filippov
  • Re: [Open Babel] smiles output includes input filename Dimitri Maziuk
  • Re: [Open Babel] smiles output includes input filename Noel O'Boyle
  • Re: [Open Babel] smiles output includes input filename Geoffrey Hutchison
  • Re: [Open Babel] smiles output includes input filename Dimitri Maziuk
  • Re: [Open Babel] smiles output includes input filename Geoffrey Hutchison
  • Re: [Open Babel] smiles output includes input filename Craig James
  • Re: [Open Babel] smiles output includes input filename Dimitri Maziuk
  • Re: [Open Babel] smiles output includes input filename Noel O'Boyle
• [Open Babel] User defined 'mask' for data import C Anthony Lewis
  • Re: [Open Babel] User defined 'mask' for data import Noel O'Boyle
  • Re: [Open Babel] User defined 'mask' for data import C Anthony Lewis
  • Re: [Open Babel] User defined 'mask' for data import Noel O'Boyle
  • Re: [Open Babel] User defined 'mask' for data import C Anthony Lewis
  • Re: [Open Babel] User defined 'mask' for data import Noel O'Boyle
  • Re: [Open Babel] User defined 'mask' for data import C Anthony Lewis
  • Re: [Open Babel] User defined 'mask' for data import C Anthony Lewis
• [Open Babel] Open Babel GUI - Output disconnected fragments separately eddie kehoe
• [Open Babel] Conversion of 2D SDF to 3D SDF in Perl Wallace Chan
  • Re: [Open Babel] Conversion of 2D SDF to 3D SDF in Perl Noel O'Boyle
  • Re: [Open Babel] Conversion of 2D SDF to 3D SDF in Perl Geoffrey Hutchison
  • Re: [Open Babel] Conversion of 2D SDF to 3D SDF in Perl Wallace Chan
  • Re: [Open Babel] Conversion of 2D SDF to 3D SDF in Perl Geoffrey Hutchison
• [Open Babel] OBConformerSearch -> turn off logging beginner_
• [Open Babel] Using obabel to filter ligands by number of rotatable bonds Dennis N Bromley
  • Re: [Open Babel] Using obabel to filter ligands by number of rotatable bonds Pascal Muller
  • Re: [Open Babel] Using obabel to filter ligands by number of rotatable bonds Noel O'Boyle
• [Open Babel] Issue when using Java API in Netbeans beginner_
  • Re: [Open Babel] Issue when using Java API in Netbeans Craig James
• [Open Babel] Adding Property to molecule and write to sd-file beginner_
  • Re: [Open Babel] Adding Property to molecule and write to sd-file beginner_
  • Re: [Open Babel] Adding Property to molecule and write to sd-file Noel O'Boyle
  • Re: [Open Babel] Adding Property to molecule and write to sd-file beginner_
• [Open Babel] Announcement: ChemicalToolBox bjoern.gruen...@googlemail.com
  • Re: [Open Babel] Announcement: ChemicalToolBox Noel O'Boyle
  • Re: [Open Babel] Announcement: ChemicalToolBox bjoern.gruen...@googlemail.com
• [Open Babel] baPHPel Maciek Wójcikowski
• [Open Babel] Openbabel system library compiled for Centos H Rajesh
  • Re: [Open Babel] Openbabel system library compiled for Centos Craig James
  • Re: [Open Babel] Openbabel system library compiled for Centos Dimitri Maziuk
  • Re: [Open Babel] Openbabel system library compiled for Centos Rajesh
  • [Open Babel] Fwd: Openbabel system library compiled for Centos Craig James
  • Re: [Open Babel] Fwd: Openbabel system library compiled for Centos Noel O'Boyle
  • Re: [Open Babel] Fwd: Openbabel system library compiled for Centos Dimitri Maziuk
  • Re: [Open Babel] Openbabel system library compiled for Centos Reinis Danne
• [Open Babel] stereo config question Dimitri Maziuk
  • Re: [Open Babel] stereo config question Noel O'Boyle
  • Re: [Open Babel] stereo config question Dimitri Maziuk
  • Re: [Open Babel] stereo config question Yoel
  • Re: [Open Babel] stereo config question Yoel
  • Re: [Open Babel] stereo config question Dimitri Maziuk
  • Re: [Open Babel] stereo config question Yoel
  • Re: [Open Babel] stereo config question Noel O'Boyle
  • Re: [Open Babel] stereo config question Dimitri Maziuk
  • Re: [Open Babel] stereo config question Yoel
  • Re: [Open Babel] stereo config question Noel O'Boyle
  • Re: [Open Babel] stereo config question Yoel
  • Re: [Open Babel] stereo config question Tim Vandermeersch
  • Re: [Open Babel] stereo config question Yoel
  • Re: [Open Babel] stereo config question Dimitri Maziuk
  • Re: [Open Babel] stereo config question Yoel
  • Re: [Open Babel] stereo config question Yoel
  • Re: [Open Babel] stereo config question Craig James
  • Re: [Open Babel] stereo config question Yoel
  • Re: [Open Babel] stereo config question Dimitri Maziuk
  • Re: [Open Babel] stereo config question Craig James
  • Re: [Open Babel] stereo config question Yoel
  • Re: [Open Babel] stereo config question Geoffrey Hutchison
  • Re: [Open Babel] stereo config question Yoel
  • Re: [Open Babel] stereo config question Yoel
  • Re: [Open Babel] stereo config question Dimitri Maziuk
  • Re: [Open Babel] stereo config question Ana Teixeira
  • Re: [Open Babel] stereo config question Yoel
  • Re: [Open Babel] stereo config question Tim Vandermeersch
  • Re: [Open Babel] stereo config question Craig James
  • Re: [Open Babel] stereo config question Yoel
  • Re: [Open Babel] stereo config question Noel O'Boyle
  • Re: [Open Babel] stereo config question Yoel
  • Re: [Open Babel] stereo config question Craig James
• [Open Babel] Announcement - R interface for OpenBabel Thomas Girke
• [Open Babel] stereo config Dimitri Maziuk
  • Re: [Open Babel] stereo config Noel O'Boyle
  • Re: [Open Babel] stereo config Dimitri Maziuk
  • Re: [Open Babel] stereo config Geoffrey Hutchison
  • Re: [Open Babel] stereo config Dimitri Maziuk
  • Re: [Open Babel] stereo config Geoffrey Hutchison
  • Re: [Open Babel] stereo config Dimitri Maziuk
  • [Open Babel] Fwd: stereo config Craig James
  • Re: [Open Babel] Fwd: stereo config Dimitri Maziuk
  • Re: [Open Babel] Fwd: stereo config Craig James
  • Re: [Open Babel] Fwd: stereo config Dimitri Maziuk
  • Re: [Open Babel] stereo config Dimitri Maziuk
• [Open Babel] isotopes Dimitri Maziuk
  • Re: [Open Babel] isotopes Geoffrey Hutchison
  • Re: [Open Babel] isotopes Dimitri Maziuk
  • Re: [Open Babel] isotopes Geoffrey Hutchison
  • Re: [Open Babel] isotopes Dimitri Maziuk
  • Re: [Open Babel] isotopes Dimitri Maziuk
  • Re: [Open Babel] isotopes David Hall
  • Re: [Open Babel] isotopes Dimitri Maziuk
  • Re: [Open Babel] isotopes Dimitri Maziuk
  • Re: [Open Babel] isotopes Geoffrey Hutchison
  • Re: [Open Babel] isotopes Dimitri Maziuk
  • Re: [Open Babel] isotopes Geoffrey Hutchison
  • Re: [Open Babel] isotopes Dimitri Maziuk
  • Re: [Open Babel] isotopes Dimitri Maziuk
• [Open Babel] Problem for compiling the example files Nicolas Cheron
  • Re: [Open Babel] Problem for compiling the example files Noel O'Boyle
  • Re: [Open Babel] Problem for compiling the example files Nicolas Cheron
  • Re: [Open Babel] Problem for compiling the example files Nicolas Cheron
  • Re: [Open Babel] Problem for compiling the example files Noel O'Boyle
  • Re: [Open Babel] Problem for compiling the example files rafel israels
  • Re: [Open Babel] Problem for compiling the example files Noel O'Boyle
  • Re: [Open Babel] Problem for compiling the example files Nicolas Cheron
  • Re: [Open Babel] Problem for compiling the example files Igor Leontyev
• Re: [Open Babel] Compile openbabel with OpenMP Geoffrey Hutchison
  • Re: [Open Babel] Compile openbabel with OpenMP Igor Filippov

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