openbabel-scripting  

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• [OpenBabel-scripting] dihedral angles in G09 output Kenneth Irving via OpenBabel-scripting
  • Re: [OpenBabel-scripting] dihedral angles in G09 output Noel O'Boyle
  • Re: [OpenBabel-scripting] dihedral angles in G09 output Kenneth Irving via OpenBabel-scripting
  • Re: [OpenBabel-scripting] dihedral angles in G09 output Noel O'Boyle
• [OpenBabel-scripting] Help needed with OpenBabel in python3 Nitish Garg
• [OpenBabel-scripting] smi support problem in pybel/openbabel python Jianshu Hu
  • Re: [OpenBabel-scripting] smi support problem in pybel/openbabel python Noel O'Boyle
  • Re: [OpenBabel-scripting] smi support problem in pybel/openbabel python Jianshu Hu
  • Re: [OpenBabel-scripting] smi support problem in pybel/openbabel python Jianshu Hu
  • Re: [OpenBabel-scripting] smi support problem in pybel/openbabel python Noel O'Boyle
• [OpenBabel-scripting] Using Chemistry::OpenBabel::OBDescriptor::FindType in Perl David Rose
  • Re: [OpenBabel-scripting] Using Chemistry::OpenBabel::OBDescriptor::FindType in Perl Fredrik Wallner
  • Re: [OpenBabel-scripting] Using Chemistry::OpenBabel::OBDescriptor::FindType in Perl David Rose
  • Re: [OpenBabel-scripting] Using Chemistry::OpenBabel::OBDescriptor::FindType in Perl Noel O'Boyle
• [OpenBabel-scripting] chiral bug in openbabel qiancheng shen
  • Re: [OpenBabel-scripting] chiral bug in openbabel Noel O'Boyle
• [OpenBabel-scripting] question about pybel for python 3.x S Joshua Swamidass
• [OpenBabel-scripting] considering new SWIG binding for R Kevin Horan
• [OpenBabel-scripting] Hola Scripters! Roscoe Casita
• [OpenBabel-scripting] Pybel : compute L5 return nan Quentin Delettre
• [OpenBabel-scripting] split structures into new objects Stefan Henrich
  • Re: [OpenBabel-scripting] split structures into new objects Noel O'Boyle
  • Re: [OpenBabel-scripting] split structures into new objects Stefan Henrich
  • Re: [OpenBabel-scripting] split structures into new objects Noel O'Boyle
• [OpenBabel-scripting] Data directory missing from Open Babel 2.3.1 Installation? Richard Marchese Robinson
• [OpenBabel-scripting] charge wrongly calculated Hannes Loeffler
• [OpenBabel-scripting] AllowPartiallyTrustedCallers in OBDotNet DLL? Håvard Stranden
• [OpenBabel-scripting] problem with Python/vector3 Hannes Loeffler
  • Re: [OpenBabel-scripting] problem with Python/vector3 Noel O'Boyle
• [OpenBabel-scripting] Get number of carbon atoms? Håvard S
  • Re: [OpenBabel-scripting] Get number of carbon atoms? Pascal Muller
• [OpenBabel-scripting] how to re-render (polish, relayout) a molfile Jan Hummel
  • Re: [OpenBabel-scripting] how to re-render (polish, relayout) a molfile Noel O'Boyle
• [OpenBabel-scripting] Babel works in shell but not in PHP Sangeetha Subramaniam
  • Re: [OpenBabel-scripting] [Open Babel] Babel works in shell but not in PHP David Hall
  • Re: [OpenBabel-scripting] [Open Babel] Babel works in shell but not in PHP David Hall
• Re: [OpenBabel-scripting] [Open Babel] pybel - (howto) calculation of RMSD for two molecules (but different conformers) Visvaldas K.
  • Re: [OpenBabel-scripting] [Open Babel] pybel - (howto) calculation of RMSD for two molecules (but different conformers) Noel O'Boyle
  • Re: [OpenBabel-scripting] [Open Babel] pybel - (howto) calculation of RMSD for two molecules (but different conformers) Visvaldas K.
  • Re: [OpenBabel-scripting] [Open Babel] pybel - (howto) calculation of RMSD for two molecules (but different conformers) Noel O'Boyle
• [OpenBabel-scripting] API for generating 2D coordinates or 3D->2D conversion? Ilya Balabin
  • Re: [OpenBabel-scripting] API for generating 2D coordinates or 3D->2D conversion? Marianne
  • Re: [OpenBabel-scripting] API for generating 2D coordinates or 3D->2D conversion? Marianne
  • Re: [OpenBabel-scripting] API for generating 2D coordinates or 3D->2D conversion? Ilya Balabin
• [OpenBabel-scripting] OBForceField Java Alexander Klenner
• [OpenBabel-scripting] NOTICE: Closure of the openbabel-scripting mailing list Noel O'Boyle
• [OpenBabel-scripting] more graceful exit for make3D on large molecules Arturo, Steven (SG)
  • Re: [OpenBabel-scripting] more graceful exit for make3D on large molecules Adrià Cereto Massagué
  • Re: [OpenBabel-scripting] more graceful exit for make3D on large molecules Noel O'Boyle
  • Re: [OpenBabel-scripting] more graceful exit for make3D on large molecules Arturo, Steven (SG)
• [OpenBabel-scripting] Script for descriptor calculation Vasanthanathan Poongavanam
  • Re: [OpenBabel-scripting] Script for descriptor calculation Noel O'Boyle
• [OpenBabel-scripting] OSX 6.8 Openbabel python bindings pierrelb
  • Re: [OpenBabel-scripting] OSX 6.8 Openbabel python bindings Geoff Hutchison
  • Re: [OpenBabel-scripting] OSX 6.8 Openbabel python bindings Noel O'Boyle
  • Re: [OpenBabel-scripting] OSX 6.8 Openbabel python bindings Visvaldas K.
  • Re: [OpenBabel-scripting] OSX 6.8 Openbabel python bindings Noel O'Boyle
  • Re: [OpenBabel-scripting] OSX 6.8 Openbabel python bindings Visvaldas K.
• [OpenBabel-scripting] pybel ring numbering giovannicianchetta
  • Re: [OpenBabel-scripting] pybel ring numbering Noel O'Boyle
• [OpenBabel-scripting] ANNOUNCE: Open Babel 2.3.1 Release Geoffrey Hutchison
  • Re: [OpenBabel-scripting] [Open Babel] ANNOUNCE: Open Babel 2.3.1 Release Giovanni Cincilla
• [OpenBabel-scripting] Open Babel Paper Published in J Cheminf Geoffrey Hutchison
• [OpenBabel-scripting] Question about OBFIT and SMART pattern Ledius
  • Re: [OpenBabel-scripting] Question about OBFIT and SMART pattern Geoffrey Hutchison
• [OpenBabel-scripting] OBConversion of mol object without input format vulcan[omni]
  • Re: [OpenBabel-scripting] OBConversion of mol object without input format Noel O'Boyle
• [OpenBabel-scripting] "pdb" not a recognised OpenBabel format (error) Daniel Sindhikara
  • Re: [OpenBabel-scripting] "pdb" not a recognised OpenBabel format (error) Noel O'Boyle
  • Re: [OpenBabel-scripting] "pdb" not a recognised OpenBabel format (error) Daniel Sindhikara
  • Re: [OpenBabel-scripting] "pdb" not a recognised OpenBabel format (error) Noel O'Boyle
  • Re: [OpenBabel-scripting] "pdb" not a recognised OpenBabel format (error) Daniel Sindhikara
  • Re: [OpenBabel-scripting] "pdb" not a recognised OpenBabel format (error) Geoff Hutchison
  • Re: [OpenBabel-scripting] "pdb" not a recognised OpenBabel format (error) Daniel Sindhikara
• [OpenBabel-scripting] SMARTS excluding Jurgens de Bruin
  • Re: [OpenBabel-scripting] SMARTS excluding Pascal Muller
  • Re: [OpenBabel-scripting] SMARTS excluding Jurgens de Bruin
  • Re: [OpenBabel-scripting] SMARTS excluding Pascal Muller
• [OpenBabel-scripting] extracting SMARTS from SMILES molecule Gonzalo Hernandez
• [OpenBabel-scripting] Determine Atoms are in same ring Jurgens de Bruin
  • Re: [OpenBabel-scripting] Determine Atoms are in same ring Geoffrey Hutchison
• [OpenBabel-scripting] Distance between atoms Jurgens de Bruin
  • Re: [OpenBabel-scripting] Distance between atoms Geoffrey Hutchison
  • Re: [OpenBabel-scripting] Distance between atoms Jurgens de Bruin
• [OpenBabel-scripting] SMARTS Jurgens de Bruin
• [OpenBabel-scripting] openbabel python example on Wiki Question phani ghanakota
  • Re: [OpenBabel-scripting] openbabel python example on Wiki Question Noel O'Boyle
• [OpenBabel-scripting] importing pybel Daniel Sindhikara
  • Re: [OpenBabel-scripting] importing pybel Noel O'Boyle
  • [OpenBabel-scripting] Fwd: importing pybel Daniel Sindhikara
  • Re: [OpenBabel-scripting] Fwd: importing pybel Geoffrey Hutchison
  • Re: [OpenBabel-scripting] Fwd: importing pybel Daniel Sindhikara
  • Re: [OpenBabel-scripting] Fwd: importing pybel Noel O'Boyle
  • Re: [OpenBabel-scripting] Fwd: importing pybel Daniel Sindhikara
• [OpenBabel-scripting] text representation of SMARTS objects? Andrew Fant
  • Re: [OpenBabel-scripting] text representation of SMARTS objects? Geoffrey Hutchison
  • Re: [OpenBabel-scripting] text representation of SMARTS objects? Andrew Fant
  • Re: [OpenBabel-scripting] text representation of SMARTS objects? Andrew Fant
• [OpenBabel-scripting] Bindings compatible with Enthought Python on Windows? Noel O'Boyle
• [OpenBabel-scripting] identify multi-fragment molecules in pybel? Andrew Fant
  • Re: [OpenBabel-scripting] identify multi-fragment molecules in pybel? Noel O'Boyle
• [OpenBabel-scripting] Am I setting conversion parameters correctly? A. Heifets
  • Re: [OpenBabel-scripting] Am I setting conversion parameters correctly? Noel O'Boyle
• [OpenBabel-scripting] Get individual atomic LogP values francois
  • Re: [OpenBabel-scripting] Get individual atomic LogP values Chris Morley
  • Re: [OpenBabel-scripting] Get individual atomic LogP values francois
  • Re: [OpenBabel-scripting] Get individual atomic LogP values Chris Morley
  • Re: [OpenBabel-scripting] Get individual atomic LogP values francois
• [OpenBabel-scripting] OBDotNet and VBA MarkEarll
  • Re: [OpenBabel-scripting] OBDotNet and VBA Noel O'Boyle
  • Re: [OpenBabel-scripting] OBDotNet and VBA MarkEarll
• [OpenBabel-scripting] Add filename to title during conversion MarkEarll
  • Re: [OpenBabel-scripting] Add filename to title during conversion Noel O'Boyle
• [OpenBabel-scripting] Chiral flag lost dave.nunn
  • Re: [OpenBabel-scripting] Chiral flag lost Noel O'Boyle
  • Re: [OpenBabel-scripting] Chiral flag lost Geoffrey Hutchison
  • Re: [OpenBabel-scripting] Chiral flag lost Noel O'Boyle
  • Re: [OpenBabel-scripting] Chiral flag lost Geoffrey Hutchison
  • Re: [OpenBabel-scripting] Chiral flag lost Dave Nunn
  • Re: [OpenBabel-scripting] Chiral flag lost Geoffrey Hutchison
  • Re: [OpenBabel-scripting] Chiral flag lost Noel O'Boyle
  • [OpenBabel-scripting] Chiral flag lost Noel O'Boyle
• [OpenBabel-scripting] Energy minimization using perl saad khan
• [OpenBabel-scripting] Ruby bindings for OBDepict Christoph Helma
  • Re: [OpenBabel-scripting] Ruby bindings for OBDepict Noel O'Boyle
  • Re: [OpenBabel-scripting] Ruby bindings for OBDepict Noel O'Boyle
  • Re: [OpenBabel-scripting] Ruby bindings for OBDepict Noel O'Boyle
  • Re: [OpenBabel-scripting] Ruby bindings for OBDepict Christoph Helma
  • Re: [OpenBabel-scripting] Ruby bindings for OBDepict Noel O'Boyle
• [OpenBabel-scripting] doing energy minimization saad khan
  • Re: [OpenBabel-scripting] doing energy minimization Noel O'Boyle
• [OpenBabel-scripting] Unable to open gzipped files on windows from python Adrià Cereto Massagué
  • Re: [OpenBabel-scripting] Unable to open gzipped files on windows from python Geoffrey Hutchison
  • Re: [OpenBabel-scripting] Unable to open gzipped files on windows from python Adrià Cereto Massagué
  • Re: [OpenBabel-scripting] Unable to open gzipped files on windows from python Chris Morley
  • Re: [OpenBabel-scripting] Unable to open gzipped files on windows from python Adrià Cereto Massagué
• [OpenBabel-scripting] level of MNA descriptors Igor Filippov
  • Re: [OpenBabel-scripting] level of MNA descriptors Noel O'Boyle
  • Re: [OpenBabel-scripting] level of MNA descriptors Igor Filippov
  • Re: [OpenBabel-scripting] level of MNA descriptors Noel O'Boyle
  • Re: [OpenBabel-scripting] level of MNA descriptors Igor Filippov
  • Re: [OpenBabel-scripting] level of MNA descriptors dave.nunn
  • Re: [OpenBabel-scripting] level of MNA descriptors Noel O'Boyle
  • Re: [OpenBabel-scripting] level of MNA descriptors Chris Morley
• [OpenBabel-scripting] Last chance to apply to attend Open Babel users' workshop Noel O'Boyle
• Re: [OpenBabel-scripting] [Open Babel] how to access getAlias() in perl Geoffrey Hutchison
  • Re: [OpenBabel-scripting] [Open Babel] how to access getAlias() in perl Noel O'Boyle
  • Re: [OpenBabel-scripting] [Open Babel] how to access getAlias() in perl Igor Filippov [Contr]
  • Re: [OpenBabel-scripting] [Open Babel] how to access getAlias() in perl Igor Filippov [Contr]
  • Re: [OpenBabel-scripting] [Open Babel] how to access getAlias() in perl Geoffrey Hutchison
  • Re: [OpenBabel-scripting] [Open Babel] how to access getAlias() in perl Igor Filippov [Contr]
• [OpenBabel-scripting] Duplicate Molecules Jurgens de Bruin
  • Re: [OpenBabel-scripting] Duplicate Molecules Noel O'Boyle
  • Re: [OpenBabel-scripting] Duplicate Molecules Marc Campitelli
• [OpenBabel-scripting] Problems with openbabel/pybel installation on MacOS X 10.6.6 Andrew Fant
  • Re: [OpenBabel-scripting] Problems with openbabel/pybel installation on MacOS X 10.6.6 Geoffrey Hutchison
  • Re: [OpenBabel-scripting] Problems with openbabel/pybel installation on MacOS X 10.6.6 Geoffrey Hutchison
  • Re: [OpenBabel-scripting] Problems with openbabel/pybel installation on MacOS X 10.6.6 Geoffrey Hutchison
  • Re: [OpenBabel-scripting] Problems with openbabel/pybel installation on MacOS X 10.6.6 Noel O'Boyle
• [OpenBabel-scripting] openbabel for sdf to mol conversion nms_uk
  • Re: [OpenBabel-scripting] openbabel for sdf to mol conversion Chris Morley
  • Re: [OpenBabel-scripting] openbabel for sdf to mol conversion nms_uk
• [OpenBabel-scripting] openbabel for comparing molfiles nms_uk
  • Re: [OpenBabel-scripting] openbabel for comparing molfiles Noel O'Boyle
  • Re: [OpenBabel-scripting] openbabel for comparing molfiles nms_uk
  • Re: [OpenBabel-scripting] openbabel for comparing molfiles Noel O'Boyle
• [OpenBabel-scripting] import error Jurgens de Bruin
  • Re: [OpenBabel-scripting] import error Noel O'Boyle
• [OpenBabel-scripting] Smiles to 3D SDF Jurgens de Bruin
  • Re: [OpenBabel-scripting] Smiles to 3D SDF Geoffrey Hutchison
  • Re: [OpenBabel-scripting] Smiles to 3D SDF Noel O'Boyle
• [OpenBabel-scripting] MOL file as string by parameter and JME kohai.raul
  • Re: [OpenBabel-scripting] MOL file as string by parameter and JME kohai.raul
  • Re: [OpenBabel-scripting] MOL file as string by parameter and JME kohai.raul
  • Re: [OpenBabel-scripting] MOL file as string by parameter and JME kohai.raul
• [OpenBabel-scripting] Very Strange behaviour OBConversion. Perl Bindings kohai.raul
  • Re: [OpenBabel-scripting] Very Strange behaviour OBConversion. Perl Bindings Noel O'Boyle
  • Re: [OpenBabel-scripting] Very Strange behaviour OBConversion. Perl Bindings kohai.raul
• [OpenBabel-scripting] OpenBabel 2.3.0 Installation R.L. Marchese-Robinson
  • Re: [OpenBabel-scripting] OpenBabel 2.3.0 Installation Noel O'Boyle
• Re: [OpenBabel-scripting] InChI and SMILES Noel O'Boyle
  • Re: [OpenBabel-scripting] InChI and SMILES Chris Morley
  • Re: [OpenBabel-scripting] InChI and SMILES Ken Smith
  • Re: [OpenBabel-scripting] InChI and SMILES Ken Smith
• [OpenBabel-scripting] OBMol.GetCoordinates Daniel Álvarez García
  • Re: [OpenBabel-scripting] OBMol.GetCoordinates Noel O'Boyle
• [OpenBabel-scripting] Replace an atom Pascal Muller
  • Re: [OpenBabel-scripting] Replace an atom Pascal Muller
  • Re: [OpenBabel-scripting] Replace an atom Geoffrey Hutchison
• [OpenBabel-scripting] Comparing stereoisomer Pascal Muller
  • Re: [OpenBabel-scripting] Comparing stereoisomer Noel O'Boyle
• [OpenBabel-scripting] installing openbabel python Swank, Craig
  • Re: [OpenBabel-scripting] installing openbabel python Noel O'Boyle
  • Re: [OpenBabel-scripting] installing openbabel python Swank, Craig
  • Re: [OpenBabel-scripting] installing openbabel python Noel O'Boyle
  • Re: [OpenBabel-scripting] installing openbabel python Swank, Craig
  • Re: [OpenBabel-scripting] installing openbabel python Noel O'Boyle
  • Re: [OpenBabel-scripting] installing openbabel python Swank, Craig
  • Re: [OpenBabel-scripting] installing openbabel python Geoffrey Hutchison
• Re: [OpenBabel-scripting] WriteMapList using Perl jseco

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