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• 2011/11/14 Re: [Cdk-user] Fw: SDFWriter problem Rajarshi Guha
• 2011/11/14 Re: [Cdk-user] Interrupting descriptor computation Nina Jeliazkova
• 2011/11/14 Re: [Cdk-user] Interrupting descriptor computation gilleain torrance
• 2011/11/14 Re: [Cdk-user] Interrupting descriptor computation Krab
• 2011/11/14 Re: [Cdk-user] Interrupting descriptor computation gilleain torrance
• 2011/11/14 [Cdk-user] Interrupting descriptor computation Krab
• 2011/11/14 Re: [Cdk-user] SMARTS Queries /parametrized Queries and pre-screening Jonathan Alvarsson
• 2011/11/13 Re: [Cdk-user] SMARTS Queries /parametrized Queries and pre-screening Nina Jeliazkova
• 2011/11/13 Re: [Cdk-user] SMARTS Queries /parametrized Queries and pre-screening Rajarshi Guha
• 2011/11/13 Re: [Cdk-user] SMARTS Queries /parametrized Queries and pre-screening Jonathan Alvarsson
• 2011/11/13 Re: [Cdk-user] SMARTS Queries /parametrized Queries and pre-screening Rajarshi Guha
• 2011/11/13 Re: [Cdk-user] SMARTS Queries /parametrized Queries and pre-screening Joos Kiener
• 2011/11/12 Re: [Cdk-user] SMARTS Queries /parametrized Queries and pre-screening Rajarshi Guha
• 2011/11/12 [Cdk-user] SMARTS Queries /parametrized Queries and pre-screening Joos Kiener
• 2011/11/09 [Cdk-user] "The simplest way to make CDK commits" Egon Willighagen
• 2011/11/08 [Cdk-user] New SMARTCyp released based on CDK 1.4 Patrik Rydberg
• 2011/10/27 [Cdk-user] Display Molecule Name lochana menikarachchi
• 2011/10/25 Re: [Cdk-user] Patch for FPS write support in the CDK Nina Jeliazkova
• 2011/10/25 Re: [Cdk-user] Patch for FPS write support in the CDK Andrew Dalke
• 2011/10/25 Re: [Cdk-user] Patch for FPS write support in the CDK nlskrg
• 2011/10/25 [Cdk-user] post-doc with experience of CDK programming wanted Patrik Rydberg
• 2011/10/24 Re: [Cdk-user] Patch for FPS write support in the CDK Andrew Dalke
• 2011/10/24 [Cdk-user] Patch for FPS write support in the CDK Egon Willighagen
• 2011/10/22 Re: [Cdk-user] SDFWriter Egon Willighagen
• 2011/10/21 [Cdk-user] SDFWriter lochana menikarachchi
• 2011/10/21 [Cdk-user] SDFWriter problem lochana menikarachchi
• 2011/10/20 Re: [Cdk-user] Post-processing of different file formats Rajarshi Guha
• 2011/10/20 Re: [Cdk-user] Post-processing of different file formats Egon Willighagen
• 2011/10/20 Re: [Cdk-user] SMSD usage Egon Willighagen
• 2011/10/20 [Cdk-user] Post-processing of different file formats Ola Spjuth
• 2011/10/20 [Cdk-user] SMSD usage Ola Spjuth
• 2011/10/17 Re: [Cdk-user] SMARTS Matching Loren Lenzen
• 2011/10/14 Re: [Cdk-user] SMARTS Matching Rajarshi Guha
• 2011/10/14 [Cdk-user] SMARTS Matching lochana menikarachchi
• 2011/10/12 Re: [Cdk-user] Rendered Bonds in Gray Nina Jeliazkova
• 2011/10/12 [Cdk-user] Rendered Bonds in Gray lochana menikarachchi
• 2011/10/05 Re: [Cdk-user] [BlueObelisk-discuss] SMARTS visualisation Peter Murray-Rust
• 2011/10/05 Re: [Cdk-user] print MCS as aromatic smarts Egon Willighagen
• 2011/10/05 Re: [Cdk-user] print MCS as aromatic smarts Rajarshi Guha
• 2011/10/05 Re: [Cdk-user] [Cdk-devel] SMARTS visualisation Syed Asad Rahman
• 2011/10/05 Re: [Cdk-user] [Cdk-devel] SMARTS visualisation Egon Willighagen
• 2011/10/05 [Cdk-user] SMARTS visualisation Christoph Steinbeck
• 2011/10/04 Re: [Cdk-user] print MCS as aromatic smarts Egon Willighagen
• 2011/10/04 Re: [Cdk-user] print MCS as aromatic smarts Rajarshi Guha
• 2011/10/04 Re: [Cdk-user] print MCS as aromatic smarts Rajarshi Guha
• 2011/10/04 Re: [Cdk-user] UniversalIsomorphismTester differences between CDK 1.0.3 and 1.4.4 Egon Willighagen
• 2011/10/04 Re: [Cdk-user] UniversalIsomorphismTester differences between CDK 1.0.3 and 1.4.4 Egon Willighagen
• 2011/10/04 Re: [Cdk-user] UniversalIsomorphismTester differences between CDK 1.0.3 and 1.4.4 gilleain torrance
• 2011/10/04 Re: [Cdk-user] Rescaling Rendered Image gilleain torrance
• 2011/10/04 Re: [Cdk-user] ElementalFormula2Structure gilleain torrance
• 2011/10/04 Re: [Cdk-user] Is there a way of getting the periodic table group corresponding to a given element object or atom symbol? gilleain torrance
• 2011/10/04 [Cdk-user] Is there a way of getting the periodic table group corresponding to a given element object or atom symbol? Pablo Moreno
• 2011/10/03 [Cdk-user] Read Write Gaussian and Gamess lochana menikarachchi
• 2011/10/03 Re: [Cdk-user] Question about CDK grammar. Rajarshi Guha
• 2011/10/03 [Cdk-user] Question about CDK grammar. Roman Eisner
• 2011/10/02 Re: [Cdk-user] Indications that generation of canonical SMILES fails under certain conditions Rajarshi Guha
• 2011/10/02 Re: [Cdk-user] Indications that generation of canonical SMILES fails under certain conditions Egon Willighagen
• 2011/10/02 Re: [Cdk-user] Indications that generation of canonical SMILES fails under certain conditions Rajarshi Guha
• 2011/10/02 [Cdk-user] Indications that generation of canonical SMILES fails under certain conditions Egon Willighagen
• 2011/09/30 [Cdk-user] ElementalFormula2Structure lochana menikarachchi
• 2011/09/11 Re: [Cdk-user] automated addition of atom types? Egon Willighagen
• 2011/09/09 [Cdk-user] inchi parser does not create SingleElectrons? Nick Vandewiele
• 2011/09/09 Re: [Cdk-user] Cdk-user Digest, Vol 64, Issue 5 Nina Jeliazkova
• 2011/09/09 Re: [Cdk-user] Cdk-user Digest, Vol 64, Issue 5 Joos Kiener
• 2011/09/09 Re: [Cdk-user] Cdk-user Digest, Vol 64, Issue 5 Nina Jeliazkova
• 2011/09/09 Re: [Cdk-user] Cdk-user Digest, Vol 64, Issue 5 Joos Kiener
• 2011/09/09 Re: [Cdk-user] Cdk-user Digest, Vol 64, Issue 5 Nina Jeliazkova
• 2011/09/09 Re: [Cdk-user] Cdk-user Digest, Vol 64, Issue 5 Joos Kiener
• 2011/09/08 Re: [Cdk-user] Cdk-user Digest, Vol 64, Issue 5 Syed Asad Rahman
• 2011/09/08 Re: [Cdk-user] Cdk-user Digest, Vol 64, Issue 6 Syed Asad Rahman
• 2011/09/08 Re: [Cdk-user] comment about VF2 implementation from chemkit - possible bug Joos Kiener
• 2011/09/08 [Cdk-user] How to compute MCS for multiple molecules Martin Guetlein
• 2011/09/08 Re: [Cdk-user] inchi generator and valency errors Sam Adams
• 2011/09/08 Re: [Cdk-user] comment about VF2 implementation from chemkit - possible bug Nina Jeliazkova
• 2011/09/08 [Cdk-user] comment about VF2 implementation from chemkit - possible bug Joos Kiener
• 2011/09/08 Re: [Cdk-user] print MCS as aromatic smarts Egon Willighagen
• 2011/09/08 Re: [Cdk-user] print MCS as aromatic smarts Nina Jeliazkova
• 2011/09/08 Re: [Cdk-user] print MCS as aromatic smarts Martin Guetlein
• 2011/09/08 Re: [Cdk-user] print MCS as aromatic smarts Egon Willighagen
• 2011/09/07 Re: [Cdk-user] print MCS as aromatic smarts Martin Guetlein
• 2011/09/03 Re: [Cdk-user] inchi generator and valency errors Nina Jeliazkova
• 2011/09/03 Re: [Cdk-user] inchi generator and valency errors Egon Willighagen
• 2011/09/03 Re: [Cdk-user] inchi generator and valency errors Egon Willighagen
• 2011/09/03 Re: [Cdk-user] inchi generator and valency errors Nina Jeliazkova
• 2011/09/03 [Cdk-user] inchi generator and valency errors Susur Kicěk
• 2011/09/02 [Cdk-user] print MCS as aromatic smarts Martin Guetlein
• 2011/08/31 [Cdk-user] automated addition of atom types? Nick Vandewiele
• 2011/08/30 Re: [Cdk-user] Renderer2DModel.set(BasicSceneGenerator.BackgroundColor.class, value) has no effect Egon Willighagen
• 2011/08/28 Re: [Cdk-user] Cdk-user Digest, Vol 63, Issue 9 Syed Asad Rahman
• 2011/08/26 Re: [Cdk-user] jchempaint.renderer.generators VS cdk.renderer.generators gilleain torrance
• 2011/08/26 Re: [Cdk-user] LICSS v2.0 Egon Willighagen
• 2011/08/26 [Cdk-user] LICSS v2.0 kevin.lawson
• 2011/08/24 [Cdk-user] jchempaint.renderer.generators VS cdk.renderer.generators Jonty Lawson
• 2011/08/24 Re: [Cdk-user] New KNIME plugin Egon Willighagen
• 2011/08/24 Re: [Cdk-user] New KNIME plugin Stephan Beisken
• 2011/08/22 [Cdk-user] support JChemPaint on ChemSpider Egon Willighagen
• 2011/08/22 Re: [Cdk-user] New KNIME plugin Thorsten Meinl
• 2011/08/22 Re: [Cdk-user] New KNIME plugin Egon Willighagen
• 2011/08/22 Re: [Cdk-user] New KNIME plugin Stephan Beisken
• 2011/08/21 Re: [Cdk-user] Cdk-user Digest, Vol 63, Issue 10 Syed Asad Rahman
• 2011/08/21 Re: [Cdk-user] Cdk-user Digest, Vol 63, Issue 9 Syed Asad Rahman
• 2011/08/21 Re: [Cdk-user] Cdk-user Digest, Vol 63, Issue 9 A. Heifets
• 2011/08/21 Re: [Cdk-user] Cdk-user Digest, Vol 63, Issue 9 Syed Asad Rahman
• 2011/08/20 [Cdk-user] How to get MCS to respect rings? A. Heifets
• 2011/08/19 Re: [Cdk-user] New KNIME plugin Egon Willighagen
• 2011/08/19 [Cdk-user] New KNIME plugin Thorsten Meinl
• 2011/08/18 Re: [Cdk-user] Making hydrogen explicit Egon Willighagen
• 2011/08/18 [Cdk-user] Making hydrogen explicit Alex Henderson
• 2011/08/16 Re: [Cdk-user] loosing aromaticity when writing SDF files Egon Willighagen
• 2011/08/16 Re: [Cdk-user] loosing aromaticity when writing SDF files Rajarshi Guha
• 2011/08/16 Re: [Cdk-user] loosing aromaticity when writing SDF files Egon Willighagen
• 2011/08/16 Re: [Cdk-user] loosing aromaticity when writing SDF files Rajarshi Guha
• 2011/08/16 Re: [Cdk-user] loosing aromaticity when writing SDF files Egon Willighagen
• 2011/08/16 Re: [Cdk-user] loosing aromaticity when writing SDF files Rajarshi Guha
• 2011/08/16 Re: [Cdk-user] Implicit hydrogens code migration CDK 1.2 to 1.4 Pudney Chris (ext) GBJH
• 2011/08/15 Re: [Cdk-user] loosing aromaticity when writing SDF files Egon Willighagen
• 2011/08/15 [Cdk-user] loosing aromaticity when writing SDF files Rajarshi Guha
• 2011/08/15 Re: [Cdk-user] Implicit hydrogens code migration CDK 1.2 to 1.4 Egon Willighagen
• 2011/08/14 Re: [Cdk-user] Implicit hydrogens code migration CDK 1.2 to 1.4 Pudney Chris (ext) GBJH
• 2011/08/11 Re: [Cdk-user] Structure Diagram Generation code migration CDK 1.2 to 1.4 Egon Willighagen
• 2011/08/11 Re: [Cdk-user] Implicit hydrogens code migration CDK 1.2 to 1.4 Egon Willighagen
• 2011/08/08 [Cdk-user] Implicit hydrogens code migration CDK 1.2 to 1.4 Pudney Chris (ext) GBJH
• 2011/08/08 [Cdk-user] Structure Diagram Generation code migration CDK 1.2 to 1.4 Pudney Chris (ext) GBJH
• 2011/08/08 [Cdk-user] Renderer2DModel.set(BasicSceneGenerator.BackgroundColor.class, value) has no effect Pudney Chris (ext) GBJH
• 2011/07/28 Re: [Cdk-user] Rendering disconnected structures (e.g. mixtures) Nina Jeliazkova
• 2011/07/28 Re: [Cdk-user] Rendering disconnected structures (e.g. mixtures) gilleain torrance
• 2011/07/28 Re: [Cdk-user] Rendering disconnected structures (e.g. mixtures) Dmitry Katsubo
• 2011/07/25 Re: [Cdk-user] Morgan atom numbers? Egon Willighagen
• 2011/07/25 Re: [Cdk-user] Morgan atom numbers? Egon Willighagen
• 2011/07/25 Re: [Cdk-user] Morgan atom numbers? Christoph Steinbeck
• 2011/07/25 Re: [Cdk-user] Morgan atom numbers? Egon Willighagen
• 2011/07/25 Re: [Cdk-user] Morgan atom numbers? Christoph Steinbeck
• 2011/07/23 [Cdk-user] Morgan atom numbers? Egon Willighagen
• 2011/07/13 Re: [Cdk-user] Exceptions again: three designs. What will we use in the next CDK series (1.6 or 2.0)? Dmitry Katsubo
• 2011/07/13 Re: [Cdk-user] anyone using nonotify? Egon Willighagen
• 2011/07/13 Re: [Cdk-user] anyone using nonotify? Rajarshi Guha
• 2011/07/13 Re: [Cdk-user] anyone using nonotify? Egon Willighagen
• 2011/07/13 Re: [Cdk-user] [Cdk-devel] Exceptions again: three designs. What will we use in the next CDK series (1.6 or 2.0)? Egon Willighagen
• 2011/07/13 Re: [Cdk-user] Exceptions again: three designs. What will we use in the next CDK series (1.6 or 2.0)? Rajarshi Guha
• 2011/07/13 Re: [Cdk-user] Exceptions again: three designs. What will we use in the next CDK series (1.6 or 2.0)? Thomas Strunz
• 2011/07/13 [Cdk-user] anyone using nonotify? Egon Willighagen
• 2011/07/13 Re: [Cdk-user] Exceptions again: three designs. What will we use in the next CDK series (1.6 or 2.0)? Rajarshi Guha
• 2011/07/13 Re: [Cdk-user] Exceptions again: three designs. What will we use in the next CDK series (1.6 or 2.0)? Nina Jeliazkova
• 2011/07/13 Re: [Cdk-user] Exceptions again: three designs. What will we use in the next CDK series (1.6 or 2.0)? Thomas Strunz
• 2011/07/12 Re: [Cdk-user] New free CDK software Christoph Steinbeck
• 2011/07/12 Re: [Cdk-user] Cdk-user Digest, Vol 62, Issue 11 Syed Asad Rahman
• 2011/07/12 [Cdk-user] New free CDK software Vincent Le Guilloux
• 2011/07/11 Re: [Cdk-user] Exceptions again: three designs. What will we use in the next CDK series (1.6 or 2.0)? Egon Willighagen
• 2011/07/11 Re: [Cdk-user] Feature and Performance updates reported in blogs: When do they appear in "public CDK"? Egon Willighagen
• 2011/07/11 Re: [Cdk-user] Feature and Performance updates reported in blogs: When do they appear in "public CDK"? Nina Jeliazkova
• 2011/07/09 Re: [Cdk-user] [Cdk-devel] Exceptions again: three designs. What will we use in the next CDK series (1.6 or 2.0)? Thomas Strunz
• 2011/07/08 Re: [Cdk-user] [Cdk-devel] Exceptions again: three designs. What will we use in the next CDK series (1.6 or 2.0)? Vincent Le Guilloux
• 2011/07/07 Re: [Cdk-user] [Cdk-devel] Exceptions again: three designs. What will we use in the next CDK series (1.6 or 2.0)? Egon Willighagen
• 2011/07/07 Re: [Cdk-user] [Cdk-devel] Exceptions again: three designs. What will we use in the next CDK series (1.6 or 2.0)? Vincent Le Guilloux
• 2011/07/07 Re: [Cdk-user] [Cdk-devel] Exceptions again: three designs. What will we use in the next CDK series (1.6 or 2.0)? Egon Willighagen
• 2011/07/07 Re: [Cdk-user] [Cdk-devel] Exceptions again: three designs. What will we use in the next CDK series (1.6 or 2.0)? Vincent Le Guilloux
• 2011/07/07 Re: [Cdk-user] [Cdk-devel] Exceptions again: three designs. What will we use in the next CDK series (1.6 or 2.0)? Rajarshi Guha
• 2011/07/07 Re: [Cdk-user] [Cdk-devel] Exceptions again: three designs. What will we use in the next CDK series (1.6 or 2.0)? Egon Willighagen
• 2011/07/07 Re: [Cdk-user] [Cdk-devel] Exceptions again: three designs. What will we use in the next CDK series (1.6 or 2.0)? Vincent Le Guilloux
• 2011/07/07 Re: [Cdk-user] Exceptions again: three designs. What will we use in the next CDK series (1.6 or 2.0)? Thomas Strunz
• 2011/07/06 Re: [Cdk-user] Generating rough 3D atomic coordinates... Egon Willighagen
• 2011/07/06 Re: [Cdk-user] [Cdk-devel] Exceptions again: three designs. What will we use in the next CDK series (1.6 or 2.0)? Sulev Sild
• 2011/07/06 Re: [Cdk-user] Generating rough 3D atomic coordinates... Christoph Steinbeck
• 2011/07/06 Re: [Cdk-user] [Cdk-devel] Exceptions again: three designs. What will we use in the next CDK series (1.6 or 2.0)? Egon Willighagen
• 2011/07/06 Re: [Cdk-user] [Cdk-devel] Exceptions again: three designs. What will we use in the next CDK series (1.6 or 2.0)? Vincent Le Guilloux
• 2011/07/06 Re: [Cdk-user] [Cdk-devel] Exceptions again: three designs. What will we use in the next CDK series (1.6 or 2.0)? Nina Jeliazkova
• 2011/07/06 Re: [Cdk-user] [Cdk-devel] Exceptions again: three designs. What will we use in the next CDK series (1.6 or 2.0)? Syed Asad Rahman
• 2011/07/06 Re: [Cdk-user] [Cdk-devel] Exceptions again: three designs. What will we use in the next CDK series (1.6 or 2.0)? Jules Kerssemakers
• 2011/07/06 Re: [Cdk-user] [Cdk-devel] Exceptions again: three designs. What will we use in the next CDK series (1.6 or 2.0)? Jules Kerssemakers
• 2011/07/06 [Cdk-user] Generating rough 3D atomic coordinates... Mark Holfelder
• 2011/07/06 Re: [Cdk-user] [Cdk-devel] Exceptions again: three designs. What will we use in the next CDK series (1.6 or 2.0)? Rajarshi Guha
• 2011/07/06 Re: [Cdk-user] Exceptions again: three designs. What will we use in the next CDK series (1.6 or 2.0)? Egon Willighagen
• 2011/07/06 Re: [Cdk-user] [Cdk-devel] Exceptions again: three designs. What will we use in the next CDK series (1.6 or 2.0)? Nina Jeliazkova
• 2011/07/06 Re: [Cdk-user] [Cdk-devel] Exceptions again: three designs. What will we use in the next CDK series (1.6 or 2.0)? Rajarshi Guha
• 2011/07/06 Re: [Cdk-user] [Cdk-devel] Exceptions again: three designs. What will we use in the next CDK series (1.6 or 2.0)? Dmitry Katsubo
• 2011/07/06 Re: [Cdk-user] [Cdk-devel] Exceptions again: three designs. What will we use in the next CDK series (1.6 or 2.0)? Egon Willighagen
• 2011/07/06 Re: [Cdk-user] [Cdk-devel] Exceptions again: three designs. What will we use in the next CDK series (1.6 or 2.0)? Egon Willighagen
• 2011/07/06 Re: [Cdk-user] [Cdk-devel] Exceptions again: three designs. What will we use in the next CDK series (1.6 or 2.0)? Christian Spiteri
• 2011/07/06 Re: [Cdk-user] [Cdk-devel] Exceptions again: three designs. What will we use in the next CDK series (1.6 or 2.0)? Nina Jeliazkova
• 2011/07/06 [Cdk-user] Exceptions again: three designs. What will we use in the next CDK series (1.6 or 2.0)? Egon Willighagen
• 2011/07/03 Re: [Cdk-user] [Cdk-devel] CDK 1.4.0 is released Syed Asad Rahman
• 2011/07/03 Re: [Cdk-user] CDK 1.4.0 is released Christoph Steinbeck
• 2011/07/03 Re: [Cdk-user] CDK 1.4.0 is released Rajarshi Guha
• 2011/07/03 [Cdk-user] CDK 1.4.0 is released Egon Willighagen
• 2011/06/26 [Cdk-user] $Id$ in descriptor specifications Egon Willighagen
• 2011/06/21 Re: [Cdk-user] SMILES Test Syed Asad Rahman
• 2011/06/21 Re: [Cdk-user] SMILES Test Egon Willighagen
• 2011/06/19 Re: [Cdk-user] cdk-1.4.x going into freeze Egon Willighagen
• 2011/06/19 [Cdk-user] cdk-1.4.x going into freeze Egon Willighagen
• 2011/06/15 Re: [Cdk-user] finding all paths between atoms gilleain torrance
• 2011/06/15 [Cdk-user] finding all paths between atoms Ed Barker
• 2011/06/12 Re: [Cdk-user] Mol2Writer throwing NullPointerException Egon Willighagen
• 2011/06/12 Re: [Cdk-user] [Cdk-jchempaint] MOL to SVG Egon Willighagen
• 2011/06/12 Re: [Cdk-user] [Bioclipse-users] Add Molecular Volume Descriptor Rudy J. Richardson
• 2011/06/11 Re: [Cdk-user] rendering of molecules back in the main CDK release Egon Willighagen
• 2011/06/11 Re: [Cdk-user] rendering of molecules back in the main CDK release Egon Willighagen
• 2011/06/11 Re: [Cdk-user] rendering of molecules back in the main CDK release Rajarshi Guha
• 2011/06/11 [Cdk-user] rendering of molecules back in the main CDK release Egon Willighagen
• 2011/06/07 Re: [Cdk-user] [Bioclipse-users] Add Molecular Volume Descriptor Egon Willighagen
• 2011/06/03 [Cdk-user] Mol2Writer throwing NullPointerException Christian Spiteri

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