Email Archive: openbabel-scripting (read-only)

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Topic Topic Starter Thread
Posts		 Last Post
  [OpenBabel-scripting] Pybel : compute L5 return nan Quentin Delettre <quentin.delettre@gm...> 1 2013-02-13 08:32
  Re: [OpenBabel-scripting] split structures into new objects Noel O'Boyle <baoilleach@gm...> 4 2012-12-07 15:41
  [OpenBabel-scripting] Data directory missing from Open Babel 2.3.1 Installation? Richard Marchese Robinson <rmarcheserobinson@gm...> 1 2012-08-24 13:00
  [OpenBabel-scripting] charge wrongly calculated Hannes Loeffler <Hannes.Loeffler@st...> 1 2012-08-09 08:57
  [OpenBabel-scripting] AllowPartiallyTrustedCallers in OBDotNet DLL? Håvard Stranden <havard.stranden@gm...> 1 2012-08-01 22:27
  Re: [OpenBabel-scripting] problem with Python/vector3 Noel O'Boyle <baoilleach@gm...> 2 2012-03-28 14:58
  Re: [OpenBabel-scripting] Get number of carbon atoms? Pascal Muller <pascal.muller@gm...> 2 2012-02-29 08:06
  Re: [OpenBabel-scripting] [Open Babel] Babel works in shell but not in PHP David Hall <lists@co...> 3 2012-02-06 17:23
  Re: [OpenBabel-scripting] how to re-render (polish, relayout) a molfile Noel O'Boyle <baoilleach@gm...> 2 2012-01-31 20:41
  Re: [OpenBabel-scripting] [Open Babel] pybel - (howto) calculation of RMSD for two molecules (but different conformers) Noel O'Boyle <baoilleach@gm...> 4 2012-01-17 09:56
  Re: [OpenBabel-scripting] OSX 6.8 Openbabel python bindings Visvaldas K. <coyote_v2002@ya...> 3 2012-01-06 15:14
  Re: [OpenBabel-scripting] API for generating 2D coordinates or 3D->2D conversion? Ilya Balabin <balabin@gm...> 4 2011-12-15 22:01
  Re: [OpenBabel-scripting] more graceful exit for make3D on large molecules Arturo, Steven (SG) <SGArturo@do...> 4 2011-11-28 16:22
  Re: [OpenBabel-scripting] OSX 6.8 Openbabel python bindings Noel O'Boyle <baoilleach@gm...> 3 2011-11-24 10:46
  [OpenBabel-scripting] OBForceField Java Alexander Klenner <alexander.klenner@sc...> 1 2011-11-21 14:11
  [OpenBabel-scripting] NOTICE: Closure of the openbabel-scripting mailing list Noel O'Boyle <baoilleach@gm...> 1 2011-11-16 10:22
  [OpenBabel-scripting] script modification Aleksandra Rudnitskaya <aleksandra.rudnitskaya@gm...> 1 2011-11-14 17:29
  Re: [OpenBabel-scripting] Script for descriptor calculation Noel O'Boyle <baoilleach@gm...> 2 2011-11-13 09:07
  Re: [OpenBabel-scripting] pybel ring numbering Noel O'Boyle <baoilleach@gm...> 2 2011-11-10 09:09
  Re: [OpenBabel-scripting] [Open Babel] ANNOUNCE: Open Babel 2.3.1 Release Giovanni Cincilla <gcincilla@gm...> 2 2011-10-17 20:15
  [OpenBabel-scripting] Open Babel Paper Published in J Cheminf Geoffrey Hutchison <geoffh@pi...> 1 2011-10-07 16:12
  Re: [OpenBabel-scripting] Question about OBFIT and SMART pattern Geoffrey Hutchison <geoff@ge...> 2 2011-09-22 14:57
  Re: [OpenBabel-scripting] "pdb" not a recognised OpenBabel format (error) Daniel Sindhikara <sindhikara@gm...> 7 2011-09-15 06:24
  Re: [OpenBabel-scripting] OBConversion of mol object without input format Noel O'Boyle <baoilleach@gm...> 2 2011-09-14 15:59
  Re: [OpenBabel-scripting] Fwd: importing pybel Daniel Sindhikara <sindhikara@gm...> 7 2011-09-06 05:53

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