openbabel-discuss

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2016/07/22 Re: [Open Babel] Problem in Open babel, when in working with Mesmer 4.1 Noel O'Boyle
2016/07/22 [Open Babel] Problem in Open babel, when in working with Mesmer 4.1 Sourav Ghoshal
2016/07/22 Re: [Open Babel] Cannot understand the element label Du. Pascal Muller
2016/07/21 [Open Babel] Cannot understand the element label Du. jrhaulung
2016/07/21 Re: [Open Babel] [InChI-discuss] Fw: inchi numbering of pro-chiral protons Noel O'Boyle
2016/07/20 Re: [Open Babel] Generating all cis-trans stereoisomers Noel O'Boyle
2016/07/20 Re: [Open Babel] Pybel Attribute error with 'delete_vectorULong' Noel O'Boyle
2016/07/18 Re: [Open Babel] install of open babel for pymol under window 10 - BABEL_DATADIR issues?? Thomas Ryckmans
2016/07/17 Re: [Open Babel] obconformer Geoffrey Hutchison
2016/07/17 Re: [Open Babel] obminimize Geoffrey Hutchison
2016/07/17 Re: [Open Babel] GAFF2 in babel? Geoffrey Hutchison
2016/07/16 Re: [Open Babel] GAFF2 in babel? David van der Spoel
2016/07/16 Re: [Open Babel] GAFF2 in babel? Albert
2016/07/15 Re: [Open Babel] Generating all cis-trans stereoisomers cgram
2016/07/15 Re: [Open Babel] Generating all cis-trans stereoisomers Noel O'Boyle
2016/07/15 Re: [Open Babel] install of open babel for pymol under window 10 - BABEL_DATADIR issues?? Noel O'Boyle
2016/07/14 [Open Babel] Generating all cis-trans stereoisomers cgram
2016/07/14 Re: [Open Babel] GAFF2 in babel? David Hall
2016/07/14 Re: [Open Babel] GAFF2 in babel? David Hall
2016/07/14 [Open Babel] obminimize Bossart Roman (bossarom)
2016/07/14 [Open Babel] obconformer Bossart Roman (bossarom)
2016/07/14 [Open Babel] GAFF2 in babel? Albert
2016/07/14 [Open Babel] Obconformer / Obminimize bossarom
2016/07/13 [Open Babel] Pybel Attribute error with 'delete_vectorULong' asood
2016/07/13 Re: [Open Babel] install of open babel for pymol under window 10 - BABEL_DATADIR issues?? Noel O'Boyle
2016/07/13 [Open Babel] install of open babel for pymol under window 10 - BABEL_DATADIR issues?? Thomas Ryckmans
2016/07/08 Re: [Open Babel] Unable to import pybel in Python Dan Smith
2016/07/08 Re: [Open Babel] Unable to import pybel in Python Dan Smith
2016/07/08 Re: [Open Babel] Unable to import pybel in Python David Hall
2016/07/08 Re: [Open Babel] Unable to import pybel in Python Noel O'Boyle
2016/07/08 Re: [Open Babel] Unable to import pybel in Python Dan Smith
2016/07/08 Re: [Open Babel] Unable to import pybel in Python Chris Swain
2016/07/07 Re: [Open Babel] Unable to import pybel in Python Leonardo Lazzaro
2016/07/07 [Open Babel] Unable to import pybel in Python Dan Smith
2016/07/05 Re: [Open Babel] Open Babel descriptor export in text? Geoffrey Hutchison
2016/07/03 [Open Babel] Open Babel descriptor export in text? Kimmy Laugh
2016/07/01 [Open Babel] Create atom and set (real) valence cgram
2016/06/22 Re: [Open Babel] {Spam?} Re: Problem assigning Partial Charges with OBChargeModel Geoffrey Hutchison
2016/06/22 Re: [Open Babel] {Spam?} Re: Problem assigning Partial Charges with OBChargeModel Marcelino Arciniega
2016/06/21 Re: [Open Babel] Problem assigning Partial Charges with OBChargeModel Geoffrey Hutchison
2016/06/21 Re: [Open Babel] Problem assigning Partial Charges with OBChargeModel Marcelino Arciniega
2016/06/20 Re: [Open Babel] Problem assigning Partial Charges with OBChargeModel Fredrik Wallner
2016/06/20 [Open Babel] Problem assigning Partial Charges with OBChargeModel Marcelino Arciniega
2016/06/15 Re: [Open Babel] Erroneous molecule from MDL file cgram
2016/06/15 Re: [Open Babel] Erroneous molecule from MDL file Craig James
2016/06/15 [Open Babel] Erroneous molecule from MDL file cgram
2016/06/14 Re: [Open Babel] Unity3D + OpenBabel Crashing Geoffrey Hutchison
2016/06/14 Re: [Open Babel] Unity3D + OpenBabel Crashing Stefano Forli
2016/06/13 [Open Babel] Unity3D + OpenBabel Crashing Brian Adams
2016/05/31 [Open Babel] Pybel - atomtype HN not depicted Jain, Yatish
2016/05/31 [Open Babel] Pybel - atomtype HN not depicted Jain, Yatish
2016/05/21 [Open Babel] Presentation on the Open Babel project Noel O'Boyle
2016/05/19 Re: [Open Babel] fillUC strict option in python bindings Jon Paul Janet
2016/05/19 Re: [Open Babel] fillUC strict option in python bindings Geoffrey Hutchison
2016/05/19 Re: [Open Babel] fillUC strict option in python bindings Noel O'Boyle
2016/05/19 [Open Babel] fillUC strict option in python bindings Jon Paul Janet
2016/05/13 Re: [Open Babel] SMART notation to select diamine molecule alfredoq
2016/05/12 Re: [Open Babel] SMART notation to select diamine molecule Geoffrey Hutchison
2016/05/12 Re: [Open Babel] SMART notation to select diamine molecule alfredoq
2016/05/12 Re: [Open Babel] SMART notation to select diamine molecule Stefano Forli
2016/05/12 [Open Babel] SMART notation to select diamine molecule alfredoq
2016/05/12 Re: [Open Babel] Windows 7 "import pybel" ImportError: No module named openbabel Noel O'Boyle
2016/05/10 [Open Babel] Windows 7 "import pybel" ImportError: No module named openbabel py-sfu
2016/05/10 Re: [Open Babel] Question about file conversion Chris Swain
2016/05/09 Re: [Open Babel] Question about file conversion Maciek Wójcikowski
2016/05/09 [Open Babel] Question about file conversion Brendan M. O'Boyle
2016/05/03 Re: [Open Babel] generating conformers with open babel Francois Berenger
2016/05/03 Re: [Open Babel] generating conformers with open babel Maciek Wójcikowski
2016/05/03 [Open Babel] generating conformers with open babel Francois Berenger
2016/05/03 Re: [Open Babel] export a MACCS FP as a string Francois Berenger
2016/05/02 Re: [Open Babel] export a MACCS FP as a string Leonardo Lazzaro
2016/05/02 [Open Babel] export a MACCS FP as a string Francois Berenger
2016/04/28 Re: [Open Babel] Chirality and tetrahedral stereo configuration Geoffrey Hutchison
2016/04/27 Re: [Open Babel] Chirality and tetrahedral stereo configuration Stefano Forli
2016/04/27 Re: [Open Babel] Chirality and tetrahedral stereo configuration Noel O'Boyle
2016/04/26 [Open Babel] Chirality and tetrahedral stereo configuration Stefano Forli
2016/04/25 Re: [Open Babel] OpenBabel-discuss Digest, Vol 119, Issue 5 Vaibhav Dixit
2016/04/25 Re: [Open Babel] OpenBabel-discuss Digest, Vol 119, Issue 5 Geoffrey Hutchison
2016/04/25 Re: [Open Babel] unable to run babel command after installation centOS 6 Vaibhav Dixit
2016/04/25 Re: [Open Babel] OpenBabel-discuss Digest, Vol 119, Issue 5 Vaibhav Dixit
2016/04/25 Re: [Open Babel] unable to run babel command after installation centOS 6 Geoffrey Hutchison
2016/04/25 Re: [Open Babel] OpenBabel-discuss Digest, Vol 119, Issue 5 Torsten Sachse
2016/04/25 Re: [Open Babel] unable to run babel command after installation centOS 6 Vaibhav Dixit
2016/04/25 Re: [Open Babel] unable to run babel command after installation centOS 6 Pascal Muller
2016/04/25 Re: [Open Babel] OpenBabel-discuss Digest, Vol 119, Issue 4 Torsten Sachse
2016/04/13 Re: [Open Babel] set the atom type in python interface Maciek Wójcikowski
2016/04/13 [Open Babel] set the atom type in python interface Yun Ding
2016/04/13 Re: [Open Babel] Confab: rotatable bond detection mirix
2016/04/11 Re: [Open Babel] problem with residue detection Maciek Wójcikowski
2016/04/11 [Open Babel] problem with residue detection Fredy Quevedo
2016/04/08 Re: [Open Babel] AddHydrogens() and subsequent GetX() causes segmentation fault Peng Bai
2016/04/08 Re: [Open Babel] Python scripting internal coordinates Geoffrey Hutchison
2016/04/08 [Open Babel] Python scripting internal coordinates tvery42
2016/04/08 Re: [Open Babel] AddHydrogens() and subsequent GetX() causes segmentation fault Andreas Kempe
2016/04/07 [Open Babel] AddHydrogens() and subsequent GetX() causes segmentation fault Peng Bai
2016/04/04 Re: [Open Babel] OBChemTsfm and OBReaction Stefano Forli
2016/04/01 Re: [Open Babel] OBChemTsfm and OBReaction Geoffrey Hutchison
2016/04/01 Re: [Open Babel] OBChemTsfm and OBReaction Stefano Forli
2016/03/30 Re: [Open Babel] Different versions of OpenBabel in Debian-based and other Linux systems Jeff Janes
2016/03/30 Re: [Open Babel] SMARTS query Hitesh Patel
2016/03/30 Re: [Open Babel] SMARTS query Hitesh Patel
2016/03/30 Re: [Open Babel] SMARTS query John M
2016/03/29 Re: [Open Babel] Different versions of OpenBabel in Debian-based and other Linux systems Noel O'Boyle
2016/03/29 [Open Babel] Different versions of OpenBabel in Debian-based and other Linux systems mirix
2016/03/29 Re: [Open Babel] SMARTS query Hitesh Patel
2016/03/29 Re: [Open Babel] SMARTS query David Hall
2016/03/29 [Open Babel] SMARTS query Gravestock David GBJH
2016/03/29 Re: [Open Babel] SMARTS question Andrew Dalke
2016/03/29 Re: [Open Babel] SMARTS question Chris Swain
2016/03/29 [Open Babel] SMARTS question Gravestock David GBJH
2016/03/28 [Open Babel] Residue name assignment mirix
2016/03/26 Re: [Open Babel] OpenBabel+OpenACC/OpenMp Pranav
2016/03/25 Re: [Open Babel] OBChemTsfm and OBReaction Noel O'Boyle
2016/03/25 Re: [Open Babel] Is there a way to prevent (re)protonation during conformer generation? mirix
2016/03/24 [Open Babel] OBChemTsfm and OBReaction Stefano Forli
2016/03/19 [Open Babel] - problem with PHP script Muriel Keribin
2016/03/19 Re: [Open Babel] - problem with PHP script Muriel Keribin
2016/03/18 Re: [Open Babel] - problem with PHP script David Hall
2016/03/15 Re: [Open Babel] : PAINS filtering Chris Swain
2016/03/15 Re: [Open Babel] PAINS filtering Maciek Wójcikowski
2016/03/15 Re: [Open Babel] PAINS filtering Stefano Forli
2016/03/15 Re: [Open Babel] PAINS filtering (mirix) Geoffrey Hutchison
2016/03/15 [Open Babel] Filtering: Ranges, greater than or equal to mirix
2016/03/15 Re: [Open Babel] PAINS filtering mirix
2016/03/15 Re: [Open Babel] PAINS filtering Geoffrey Hutchison
2016/03/15 Re: [Open Babel] PAINS filtering (mirix) Chris Swain
2016/03/14 [Open Babel] PAINS filtering mirix
2016/03/09 Re: [Open Babel] Is there a way to prevent (re)protonation during conformer generation? mirix
2016/03/09 Re: [Open Babel] Is there a way to prevent (re)protonation during conformer generation? Stefano Forli
2016/03/09 Re: [Open Babel] 1-substituted adamantane InChIKeys Stefano Forli
2016/03/09 Re: [Open Babel] 1-substituted adamantane InChIKeys Geoffrey Hutchison
2016/03/09 Re: [Open Babel] 1-substituted adamantane InChIKeys John M
2016/03/09 [Open Babel] Is there a way to prevent (re)protonation during conformer generation? mirix
2016/03/09 Re: [Open Babel] make3D forcefield error Noel O'Boyle
2016/03/08 [Open Babel] make3D forcefield error cgram
2016/03/08 [Open Babel] 1-substituted adamantane InChIKeys M.D. Driver
2016/03/07 [Open Babel] Azide and protonation: disappearing nitrogen Stefano Forli
2016/03/03 Re: [Open Babel] Tanimoto similarity calculation with Java library Noel O'Boyle
2016/03/03 Re: [Open Babel] Tanimoto similarity calculation with Java library Noel O'Boyle
2016/03/02 Re: [Open Babel] Tanimoto similarity calculation with Java library Geoffrey Hutchison
2016/03/01 Re: [Open Babel] java library dll error on 64-bit windows Geoffrey Hutchison
2016/03/01 [Open Babel] Tanimoto similarity calculation with Java library Selim güneş
2016/03/01 [Open Babel] java library dll error on 64-bit windows Selim güneş
2016/03/01 Re: [Open Babel] question regarding error messages and poor results Andreas Kempe
2016/02/29 Re: [Open Babel] Open Chemistry in Google Summer of Code Nathan Pimental
2016/02/29 [Open Babel] Open Chemistry in Google Summer of Code Geoffrey Hutchison
2016/02/29 [Open Babel] Confab: rotatable bond detection alfredoq
2016/02/27 Re: [Open Babel] question regarding error messages and poor results Andreas Kempe
2016/02/27 Re: [Open Babel] question regarding error messages and poor results Tim Vandermeersch
2016/02/27 [Open Babel] Cant activate Confab alfredoq
2016/02/26 [Open Babel] question regarding error messages and poor results Moshe Ben-zion
2016/02/17 Re: [Open Babel] convert SDF format to MM3 Geoffrey Hutchison
2016/02/13 Re: [Open Babel] Open Babel question about convertion object Craig James
2016/02/13 [Open Babel] Open Babel question about convertion object Dziamski, Olgierd
2016/02/05 [Open Babel] ImportError DLL load failed cornelius_
2016/02/02 Re: [Open Babel] OpenBabel+OpenACC/OpenMp Geoffrey Hutchison
2016/02/02 Re: [Open Babel] OpenBabel+OpenACC/OpenMp Craig James
2016/02/02 [Open Babel] convert SDF format to MM3 Moshe Ben-zion
2016/02/02 [Open Babel] OpenBabel+OpenACC/OpenMp Pranav Khade
2016/01/26 Re: [Open Babel] Confab Usage Geoffrey Hutchison
2016/01/26 [Open Babel] Confab Usage Ittoku Sitpy
2016/01/22 Re: [Open Babel] pdf export Geoffrey Hutchison
2016/01/22 Re: [Open Babel] pdf export Chris Swain
2016/01/22 Re: [Open Babel] pdf export Maciek Wójcikowski
2016/01/22 Re: [Open Babel] pdf export Chris Swain
2016/01/21 Re: [Open Babel] pdf export Maciek Wójcikowski
2016/01/21 [Open Babel] pdf export Chris Swain
2016/01/19 Re: [Open Babel] May I get the formula with subcript using OB Nathan Pimental
2016/01/19 [Open Babel] May I get the formula with subcript using OB shanghongqi...@gmail.com
2016/01/12 [Open Babel] Add each ligand ID from a pdb file to mol2 file jrhaulung
2016/01/05 Re: [Open Babel] azoxy Maciek Wójcikowski
2016/01/05 Re: [Open Babel] azoxy Stefano Forli
2016/01/04 [Open Babel] azoxy Stefano Guglielmo
2016/01/04 [Open Babel] iBabel Chris Swain
2016/01/01 Re: [Open Babel] Question for open babel Nathan Pimental
2015/12/29 Re: [Open Babel] PDB to SMILES Geoffrey Hutchison
2015/12/28 Re: [Open Babel] Question for open babel Sawatdee SeeGame
2015/12/28 [Open Babel] PDB to SMILES azeif
2015/12/12 Re: [Open Babel] How do you keep "comment-type" information ? (from an SDF file) Phil Evans
2015/12/06 [Open Babel] Unit of Forces Returned by GetForces() sebastiandohm
2015/12/03 Re: [Open Babel] How do you keep "comment-type" information ? (from an SDF file) Fredrik Wallner
2015/12/03 [Open Babel] How do you keep "comment-type" information ? (from an SDF file) ashika
2015/11/30 Re: [Open Babel] Question for open babel Sawatdee SeeGame
2015/11/30 Re: [Open Babel] Examples of Openbabel fast substructure searching Fredrik Wallner
2015/11/28 Re: [Open Babel] Question for open babel Geoffrey Hutchison
2015/11/28 Re: [Open Babel] Question for open babel Nathan Pimental
2015/11/28 Re: [Open Babel] Examples of Openbabel fast substructure searching Fredrik Wallner
2015/11/28 Re: [Open Babel] Examples of Openbabel fast substructure searching rathjyoti
2015/11/28 [Open Babel] Question for open babel Sawatdee SeeGame
2015/11/24 Re: [Open Babel] alternative FF? Geoffrey Hutchison
2015/11/24 [Open Babel] alternative FF? Albert
2015/11/24 Re: [Open Babel] Problem in converting a PDB file to MOL2 Alexandre Fassio
2015/11/23 Re: [Open Babel] Problem in converting a PDB file to MOL2 Stefano Forli
2015/11/21 Re: [Open Babel] Problem in converting a PDB file to MOL2 Alexandre Fassio
2015/11/21 Re: [Open Babel] Problem in converting a PDB file to MOL2 Alexandre Fassio
2015/11/20 Re: [Open Babel] Problem in converting a PDB file to MOL2 Stefano Forli
2015/11/20 Re: [Open Babel] Problem in converting a PDB file to MOL2 Alexandre Fassio
2015/11/20 Re: [Open Babel] atom names stripped in OBminimize S.L. Chan
2015/11/19 [Open Babel] atom names stripped in OBminimize Bennion, Brian
2015/11/19 Re: [Open Babel] Problem in converting a PDB file to MOL2 Dimitri Maziuk