openbabel-discuss  

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• 2015/04/30 Re: [Open Babel] access all properties from mol2 file Maciek Wójcikowski
• 2015/04/30 Re: [Open Babel] access all properties from mol2 file Hitesh Patel
• 2015/04/30 Re: [Open Babel] access all properties from mol2 file Maciek Wójcikowski
• 2015/04/30 [Open Babel] access all properties from mol2 file Hitesh Patel
• 2015/04/29 Re: [Open Babel] SegFault while adding hydrogens (Python) Noel O'Boyle
• 2015/04/28 Re: [Open Babel] SegFault while adding hydrogens (Python) Dimitri Maziuk
• 2015/04/28 Re: [Open Babel] SegFault while adding hydrogens (Python) Stefano Forli
• 2015/04/28 Re: [Open Babel] SegFault while adding hydrogens (Python) Dimitri Maziuk
• 2015/04/28 [Open Babel] SegFault while adding hydrogens (Python) Stefano Forli
• 2015/04/25 Re: [Open Babel] PLIP - An Open Babel related project (Nathan Pimental) Chris Swain
• 2015/04/25 Re: [Open Babel] Compressed pybel.Outputfile output Maciek Wójcikowski
• 2015/04/24 Re: [Open Babel] Compressed pybel.Outputfile output Matthew Lardy
• 2015/04/24 Re: [Open Babel] Compressed pybel.Outputfile output Stefano Forli
• 2015/04/24 [Open Babel] Compressed pybel.Outputfile output Matthew Lardy
• 2015/04/23 Re: [Open Babel] PLIP - An Open Babel related project Nathan Pimental
• 2015/04/23 [Open Babel] PLIP - An Open Babel related project Sebastian Salentin
• 2015/04/20 [Open Babel] obenergy on variable/list Gulzar Singh
• 2015/04/17 Re: [Open Babel] pybel question Juan Pablo Arcón
• 2015/04/15 Re: [Open Babel] pybel question Noel O'Boyle
• 2015/04/14 Re: [Open Babel] Creating a molecule from scratch (Python) Noel O'Boyle
• 2015/04/10 [Open Babel] Creating a molecule from scratch (Python) Stefano Forli
• 2015/04/09 Re: [Open Babel] ForceField Help Noel O'Boyle
• 2015/04/09 Re: [Open Babel] adding hydrogen atoms eric henon
• 2015/04/09 [Open Babel] Conformers using user specified torsion angles Gulzar Singh
• 2015/04/08 [Open Babel] OpenBabel Failed to calculate Gasteiger Partial Charge from many PDB files debroise
• 2015/04/08 Re: [Open Babel] adding hydrogen atoms Noel O'Boyle
• 2015/04/08 Re: [Open Babel] ForceField Help Noel O'Boyle
• 2015/04/08 Re: [Open Babel] Obrotate Help Igor Filippov
• 2015/04/08 [Open Babel] Obrotate Help Gulzar Singh
• 2015/04/08 [Open Babel] ForceField Help Gulzar Singh
• 2015/04/06 [Open Babel] Obtautomer and Python Stefano Forli
• 2015/04/06 Re: [Open Babel] adding hydrogen atoms Noel O'Boyle
• 2015/04/05 [Open Babel] adding hydrogen atoms eric henon
• 2015/04/03 Re: [Open Babel] Problem with gen3D keyword Geoffrey Hutchison
• 2015/04/03 Re: [Open Babel] mac mavericks - openbabel trouble with python3 Matthew Swain
• 2015/04/03 Re: [Open Babel] Problem with gen3D keyword Geoffrey Hutchison
• 2015/04/02 [Open Babel] Problem with gen3D keyword Matthew Guberman
• 2015/04/02 Re: [Open Babel] Converting Smiles to XYZ coordinates David Hall
• 2015/04/02 Re: [Open Babel] Converting Smiles to XYZ coordinates David Hall
• 2015/04/02 [Open Babel] Converting Smiles to XYZ coordinates Matthew Guberman
• 2015/04/02 Re: [Open Babel] Generating 3D SDF from InChI with Perl GeoffWoof
• 2015/04/02 Re: [Open Babel] mac mavericks - openbabel trouble with python3 Geoffrey Hutchison
• 2015/04/02 [Open Babel] mac mavericks - openbabel trouble with python3 lansana Camara
• 2015/03/31 Re: [Open Babel] xyz file with dx, dy, dz for visualization in jmol/jsmol Noel O'Boyle
• 2015/03/31 [Open Babel] xyz file with dx, dy, dz for visualization in jmol/jsmol David van der Spoel
• 2015/03/31 [Open Babel] get all matches with OBSmartsPattern? Hannes Loeffler
• 2015/03/26 Re: [Open Babel] Protonation issues in 2.3.2 version ggbs
• 2015/03/25 Re: [Open Babel] How could I eliminate the line in the converted image shanghongqi...@gmail.com
• 2015/03/25 Re: [Open Babel] obabel convert problem zhao li na
• 2015/03/25 Re: [Open Babel] Generating 3D SDF from InChI with Perl GeoffWoof
• 2015/03/25 Re: [Open Babel] How could I eliminate the line in the converted image Fredrik Wallner
• 2015/03/25 [Open Babel] How could I eliminate the line in the converted image shanghongqi...@gmail.com
• 2015/03/25 Re: [Open Babel] obabel --gen3d changes the number of rotatable bonds? Fredrik Wallner
• 2015/03/25 Re: [Open Babel] obabel --gen3d changes the number of rotatable bonds? Aaron Schweiger
• 2015/03/24 Re: [Open Babel] obabel --gen3d changes the number of rotatable bonds? Aaron Schweiger
• 2015/03/24 Re: [Open Babel] obabel --gen3d changes the number of rotatable bonds? Fredrik Wallner
• 2015/03/23 [Open Babel] obabel --gen3d changes the number of rotatable bonds? Aaron Schweiger
• 2015/03/23 Re: [Open Babel] obabel convert problem Geoffrey Hutchison
• 2015/03/23 Re: [Open Babel] error with obabel filter by SMARTS Stefano Forli
• 2015/03/23 Re: [Open Babel] error with obabel filter by SMARTS Chris Morley
• 2015/03/22 Re: [Open Babel] error with obabel filter by SMARTS Noel O'Boyle
• 2015/03/21 Re: [Open Babel] error with obabel filter by SMARTS Noel O'Boyle
• 2015/03/21 [Open Babel] error with obabel filter by SMARTS Stefano Forli
• 2015/03/20 Re: [Open Babel] error by installing open babel for mac Chris Swain
• 2015/03/20 Re: [Open Babel] Protonation issues in 2.3.2 version David Hall
• 2015/03/20 Re: [Open Babel] error by installing open babel for mac David Hall
• 2015/03/20 [Open Babel] error by installing open babel for mac Allassane Camara
• 2015/03/19 [Open Babel] Protonation issues in 2.3.2 version ggbs
• 2015/03/18 [Open Babel] Guided rotamer searching Maxwell Wesley Terban
• 2015/03/14 [Open Babel] python open babel symmetry FATEH LEBCIR
• 2015/03/11 Re: [Open Babel] Notation for fusion in SMARTS and identify the sequence of substructure in target molecule Ching Yen Shih
• 2015/03/10 Re: [Open Babel] Notation for fusion in SMARTS and identify the sequence of substructure in target molecule Stefano Forli
• 2015/03/10 Re: [Open Babel] Notation for fusion in SMARTS and identify the sequence of substructure in target molecule Craig James
• 2015/03/10 Re: [Open Babel] Notation for fusion in SMARTS and identify the sequence of substructure in target molecule Ching Yen Shih
• 2015/03/10 Re: [Open Babel] Notation for fusion in SMARTS and identify the sequence of substructure in target molecule Noel O'Boyle
• 2015/03/05 [Open Babel] Notation for fusion in SMARTS and identify the sequence of substructure in target molecule Ching Yen Shih
• 2015/03/02 Re: [Open Babel] Substructure Search(Pybel): why results are different from what I see Geoffrey Hutchison
• 2015/03/01 Re: [Open Babel] Openbabel python binding Noel O'Boyle
• 2015/03/01 Re: [Open Babel] Substructure Search(Pybel): why results are different from what I see Pascal Muller
• 2015/03/01 [Open Babel] Can be listed in the Related projects List prasun kumar
• 2015/03/01 Re: [Open Babel] pybel/openbabel and use of confab Renslow, Ryan S
• 2015/03/01 Re: [Open Babel] Substructure Search(Pybel): why results are different from what I see Ching Yen Shih
• 2015/03/01 [Open Babel] New entry to Related Projects list Michael Kausch
• 2015/02/27 Re: [Open Babel] Getting into openbabel development Geoffrey Hutchison
• 2015/02/27 Re: [Open Babel] Openbabel python binding Geoffrey Hutchison
• 2015/02/27 Re: [Open Babel] MACCS key 44 Geoffrey Hutchison
• 2015/02/26 [Open Babel] finding missing cartesian coordinate gromacs query
• 2015/02/25 Re: [Open Babel] pybel/openbabel and use of confab Geoffrey Hutchison
• 2015/02/25 Re: [Open Babel] pybel/openbabel and use of confab Geoffrey Hutchison
• 2015/02/25 Re: [Open Babel] accessing and manipulating GAFF atom types? Geoffrey Hutchison
• 2015/02/25 [Open Babel] accessing and manipulating GAFF atom types? Hannes Loeffler
• 2015/02/25 Re: [Open Babel] pybel/openbabel and use of confab Noel O'Boyle
• 2015/02/22 Re: [Open Babel] OpenBabel 2.3.2 and OS X 10.9 Konrad Koehler
• 2015/02/20 Re: [Open Babel] Determining the number of aromatic rings when smiles string is given Stefano Forli
• 2015/02/20 Re: [Open Babel] Chirality and winding Stefano Forli
• 2015/02/20 Re: [Open Babel] Chirality and winding Nathan Pimental
• 2015/02/20 [Open Babel] Determining the number of aromatic rings when smiles string is given Atif Faiz
• 2015/02/19 Re: [Open Babel] Chirality and winding Geoffrey Hutchison
• 2015/02/19 Re: [Open Babel] Chirality and winding Noel O'Boyle
• 2015/02/18 Re: [Open Babel] Chirality and winding Stefano Forli
• 2015/02/17 Re: [Open Babel] Chirality and winding Noel O'Boyle
• 2015/02/17 Re: [Open Babel] Chirality and winding Stefano Forli
• 2015/02/17 Re: [Open Babel] Chirality and winding Noel O'Boyle
• 2015/02/16 [Open Babel] Chirality and winding Stefano Forli
• 2015/02/13 Re: [Open Babel] Substructure Search(Pybel): why results are different from what I see Geoffrey Hutchison
• 2015/02/13 Re: [Open Babel] Open Babel in JavaScript qiancheng shen
• 2015/02/13 [Open Babel] Open Babel in JavaScript Noel O'Boyle
• 2015/02/05 [Open Babel] Library Generation & Stereo-isomer Enumeration Geoffrey Hutchison
• 2015/01/28 [Open Babel] Gasteiger charges and hydrogens issue Stefano Forli
• 2015/01/26 Re: [Open Babel] openbabel mac error Matthew Swain
• 2015/01/24 Re: [Open Babel] openbabel mac error Yutong Zhao
• 2015/01/21 [Open Babel] Getting into openbabel development Jeff Janes
• 2015/01/21 Re: [Open Babel] openbabel mac error Noel O'Boyle
• 2015/01/20 [Open Babel] Ring conformations Stefano Forli
• 2015/01/12 Re: [Open Babel] Openbabel and Anaconda Samo Turk
• 2015/01/11 Re: [Open Babel] Openbabel and Anaconda Geoffrey Hutchison
• 2015/01/11 Re: [Open Babel] Openbabel and Anaconda Noel O'Boyle
• 2015/01/11 [Open Babel] Openbabel and Anaconda Samo Turk
• 2015/01/08 Re: [Open Babel] Confab algorithm for openbabel conformer search David Hall
• 2015/01/08 [Open Babel] Confab algorithm for openbabel conformer search Ben Albrecht
• 2015/01/05 Re: [Open Babel] Odd bug with OpenBabel and Pybel: working stochastically Noel O'Boyle
• 2015/01/05 [Open Babel] Odd bug with OpenBabel and Pybel: working stochastically Tim Fallon
• 2014/12/16 Re: [Open Babel] Failure in molecule protonation ggbs
• 2014/12/16 [Open Babel] Failure in molecule protonation ggbs
• 2014/12/10 Re: [Open Babel] Maximum common substructure (MCS) with OpenBabel Andrew Dalke
• 2014/12/10 Re: [Open Babel] Maximum common substructure (MCS) with OpenBabel Noel O'Boyle
• 2014/12/10 Re: [Open Babel] OpenBabel calculating wrong formula Noel O'Boyle
• 2014/12/09 Re: [Open Babel] OpenBabel calculating wrong formula Oliver Stueker
• 2014/12/09 Re: [Open Babel] Maximum common substructure (MCS) with OpenBabel Stefano Forli
• 2014/12/09 Re: [Open Babel] OpenBabel calculating wrong formula Noel O'Boyle
• 2014/12/09 [Open Babel] OpenBabel calculating wrong formula Oliver Stueker
• 2014/12/08 Re: [Open Babel] Maximum common substructure (MCS) with OpenBabel Geoffrey Hutchison
• 2014/12/08 Re: [Open Babel] obabel removes atom names David Hall
• 2014/12/08 [Open Babel] obabel removes atom names Bennion, Brian
• 2014/12/08 Re: [Open Babel] Maximum common substructure (MCS) with OpenBabel Igor Filippov
• 2014/12/08 [Open Babel] Maximum common substructure (MCS) with OpenBabel Stefano Forli
• 2014/12/07 Re: [Open Babel] OBMol::GetGIVector versus OBGraphSymPrivate::GetGIVector Tim Vandermeersch
• 2014/12/05 [Open Babel] OBMol::GetGIVector versus OBGraphSymPrivate::GetGIVector Craig James
• 2014/12/01 Re: [Open Babel] Smaller static OB for py2exe? Mathias Laurin
• 2014/11/30 Re: [Open Babel] Smaller static OB for py2exe? Noel O'Boyle
• 2014/11/30 Re: [Open Babel] Smaller static OB for py2exe? Mathias Laurin
• 2014/11/28 Re: [Open Babel] Smaller static OB for py2exe? David Hall
• 2014/11/28 Re: [Open Babel] Smaller static OB for py2exe? Noel O'Boyle
• 2014/11/28 [Open Babel] Smaller static OB for py2exe? Mathias Laurin
• 2014/11/28 [Open Babel] Smaller static OB for py2exe? Mathias Laurin
• 2014/11/26 Re: [Open Babel] Compiling for x64 Windows 7: few errors to go... no idea how to proceed. Kristian Kaufmann
• 2014/11/25 Re: [Open Babel] Openbabel's FP2 Fingerprint Noel O'Boyle
• 2014/11/25 [Open Babel] Openbabel's FP2 Fingerprint Wallace Chan
• 2014/11/24 Re: [Open Babel] Compiling for x64 Windows 7: few errors to go... no idea how to proceed. Dale R. Cameron
• 2014/11/24 Re: [Open Babel] Compiling for x64 Windows 7: few errors to go... no idea how to proceed. Dale R. Cameron
• 2014/11/24 Re: [Open Babel] Compiling for x64 Windows 7: few errors to go... no idea how to proceed. Dale R. Cameron
• 2014/11/24 [Open Babel] A bug when calculating fp4 fingerprint 杨弘宾
• 2014/11/22 Re: [Open Babel] Compiling for x64 Windows 7: few errors to go... no idea how to proceed. Noel O'Boyle
• 2014/11/22 Re: [Open Babel] Compiling for x64 Windows 7: few errors to go... no idea how to proceed. Mathias Laurin
• 2014/11/21 Re: [Open Babel] Identify if explicit chirality is defined (Python) Stefano Forli
• 2014/11/21 Re: [Open Babel] Compiling for x64 Windows 7: few errors to go... no idea how to proceed. Dale R. Cameron
• 2014/11/21 Re: [Open Babel] Compiling for x64 Windows 7: few errors to go... no idea how to proceed. Noel O'Boyle
• 2014/11/21 Re: [Open Babel] Compiling for x64 Windows 7: few errors to go... no idea how to proceed. Dale R. Cameron
• 2014/11/20 Re: [Open Babel] Identify if explicit chirality is defined (Python) Noel O'Boyle
• 2014/11/20 [Open Babel] Identify if explicit chirality is defined (Python) Stefano Forli
• 2014/11/20 Re: [Open Babel] Compiling for x64 Windows 7: few errors to go... no idea how to proceed. dcameron
• 2014/11/19 Re: [Open Babel] Compiling for x64 Windows 7: few errors to go... no idea how to proceed. Noel O'Boyle
• 2014/11/19 Re: [Open Babel] Compiling for x64 Windows 7: few errors to go... no idea how to proceed. Noel O'Boyle
• 2014/11/19 Re: [Open Babel] Compiling for x64 Windows 7: few errors to go... no idea how to proceed. Noel O'Boyle
• 2014/11/18 [Open Babel] Compiling for x64 Windows 7: few errors to go... no idea how to proceed. dcameron
• 2014/11/18 Re: [Open Babel] tape41 to molden format Geoffrey Hutchison
• 2014/11/17 [Open Babel] tape41 to molden format CLAUDIA CLIMENT BIESCAS
• 2014/11/14 Re: [Open Babel] Open Babel compilation to add Python bindings fails Noel O'Boyle
• 2014/11/14 Re: [Open Babel] Open Babel compilation to add Python bindings fails Douglas Houston
• 2014/11/14 [Open Babel] Open Babel compilation to add Python bindings fails Douglas Houston
• 2014/11/14 Re: [Open Babel] Open Babel compilation to add Python bindings fails Noel O'Boyle
• 2014/11/14 Re: [Open Babel] Open Babel compilation to add Python bindings fails Nathan Pimental
• 2014/11/14 [Open Babel] Open Babel compilation to add Python bindings fails Douglas Houston
• 2014/11/04 Re: [Open Babel] PDB residue id with obabel David Hall
• 2014/11/04 [Open Babel] PDB residue id with obabel Mezei, Mihaly
• 2014/11/03 Re: [Open Babel] Molecular Analysis 'Scanning' David Hall
• 2014/11/03 [Open Babel] Molecular Analysis 'Scanning' Nathan Pimental
• 2014/10/31 Re: [Open Babel] Error in Pybel.readstring() - smi format not recognized lee123
• 2014/10/29 Re: [Open Babel] 2d SVG Label positions Lee-Ping Wang
• 2014/10/28 Re: [Open Babel] 2d SVG Label positions Christian Meisenbichler
• 2014/10/24 Re: [Open Babel] Error in Pybel.readstring() - smi format not recognized ftorazyne
• 2014/10/24 Re: [Open Babel] Error in Pybel.readstring() - smi format not recognized Andrew Dalke
• 2014/10/24 Re: [Open Babel] Error in Pybel.readstring() - smi format not recognized Noel O'Boyle
• 2014/10/24 Re: [Open Babel] Error in Pybel.readstring() - smi format not recognized Andrew Dalke
• 2014/10/24 Re: [Open Babel] Error in Pybel.readstring() - smi format not recognized ftorazyne
• 2014/10/24 Re: [Open Babel] Error in Pybel.readstring() - smi format not recognized Noel O'Boyle
• 2014/10/24 Re: [Open Babel] Error in Pybel.readstring() - smi format not recognized Andrew Dalke
• 2014/10/24 Re: [Open Babel] Error in Pybel.readstring() - smi format not recognized ftorazyne
• 2014/10/24 [Open Babel] 2d SVG Label positions Christian Meisenbichler
• 2014/10/23 Re: [Open Babel] Error in Pybel.readstring() - smi format not recognized Andrew Dalke
• 2014/10/23 Re: [Open Babel] Error in Pybel.readstring() - smi format not recognized ftorazyne
• 2014/10/23 Re: [Open Babel] Error in Pybel.readstring() - smi format not recognized Andrew Dalke
• 2014/10/23 Re: [Open Babel] Error in Pybel.readstring() - smi format not recognized Andrew Dalke
• 2014/10/23 Re: [Open Babel] Error in Pybel.readstring() - smi format not recognized ftorazyne
• 2014/10/23 Re: [Open Babel] Error in Pybel.readstring() - smi format not recognized ftorazyne
• 2014/10/23 Re: [Open Babel] Error in Pybel.readstring() - smi format not recognized Andrew Dalke
• 2014/10/23 Re: [Open Babel] Error in Pybel.readstring() - smi format not recognized ftorazyne
• 2014/10/23 Re: [Open Babel] Error in Pybel.readstring() - smi format not recognized Dimitri Maziuk
• 2014/10/23 Re: [Open Babel] Error in Pybel.readstring() - smi format not recognized ftorazyne
• 2014/10/23 Re: [Open Babel] Error in Pybel.readstring() - smi format not recognized Andrew Dalke

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