openbabel-discuss  

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• • Re: [Open Babel] SVG draws unwanted extra hydrogens Lee-Ping Wang
  • Re: [Open Babel] SVG draws unwanted extra hydrogens David Hall
  • Re: [Open Babel] SVG draws unwanted extra hydrogens Noel O'Boyle
  • Re: [Open Babel] SVG draws unwanted extra hydrogens Pascal Muller
  • Re: [Open Babel] SVG draws unwanted extra hydrogens Lee-Ping Wang
  • Re: [Open Babel] SVG draws unwanted extra hydrogens Mathias Laurin
  • Re: [Open Babel] SVG draws unwanted extra hydrogens Lee-Ping Wang
• [Open Babel] OB segfault Dimitri Maziuk
• [Open Babel] Problems with babel derudan areyahu
  • Re: [Open Babel] Problems with babel Geoffrey Hutchison
• [Open Babel] kasper.tho...@gmail.com has indicated you're a friend. Accept? kasper . thofte
• [Open Babel] openbabel + java : mol files & svg output problems Todd Anderson
• [Open Babel] Smiles to 2D Ceyda Öksel
  • Re: [Open Babel] Smiles to 2D Pascal Muller
• [Open Babel] PDB alternate locations Stefano Forli
• [Open Babel] error on installation David Rose
  • Re: [Open Babel] error on installation Geoffrey Hutchison
• [Open Babel] Applying reactions in obabel Jeff Janes
  • Re: [Open Babel] Applying reactions in obabel Geoffrey Hutchison
  • Re: [Open Babel] Applying reactions in obabel Stefano Forli
• [Open Babel] failing to convert from pubchem format to mol2 asaf salamov
• [Open Babel] Using RXN with OBReaction and OBChemTsfm (Python) Stefano Forli
  • Re: [Open Babel] Using RXN with OBReaction and OBChemTsfm (Python) Noel O'Boyle
  • Re: [Open Babel] Using RXN with OBReaction and OBChemTsfm (Python) Stefano Forli
  • Re: [Open Babel] Using RXN with OBReaction and OBChemTsfm (Python) Noel O'Boyle
• [Open Babel] OpenBabel and C++11 Itay Zandbank
  • Re: [Open Babel] OpenBabel and C++11 Matthew Swain
  • Re: [Open Babel] OpenBabel and C++11 Itay Zandbank
  • Re: [Open Babel] OpenBabel and C++11 Itay Zandbank
• [Open Babel] problem with mol.make3D() regarding indexing and getting atomic mass Varun Krishnamurthy
• [Open Babel] Conversion of SMILES to SMARTS String Wallace Chan
  • Re: [Open Babel] Conversion of SMILES to SMARTS String Geoffrey Hutchison
  • Re: [Open Babel] Conversion of SMILES to SMARTS String Wallace Chan
  • Re: [Open Babel] Conversion of SMILES to SMARTS String Tim Vandermeersch
  • Re: [Open Babel] Conversion of SMILES to SMARTS String Wallace Chan
  • Re: [Open Babel] Conversion of SMILES to SMARTS String Chris Morley
  • Re: [Open Babel] Conversion of SMILES to SMARTS String Wallace Chan
• [Open Babel] Add comments to output file Jim Parker
  • Re: [Open Babel] Add comments to output file Geoffrey Hutchison
  • Re: [Open Babel] Add comments to output file Jim Parker
• [Open Babel] Get Atom name information from OBMol class using python bindings Jim Parker
  • Re: [Open Babel] Get Atom name information from OBMol class using python bindings Stefano Forli
  • Re: [Open Babel] Get Atom name information from OBMol class using python bindings Dmitri Maziuk
  • Re: [Open Babel] Get Atom name information from OBMol class using python bindings Jim Parker
  • Re: [Open Babel] Get Atom name information from OBMol class using python bindings Dmitri Maziuk
• [Open Babel] mol2 writer adds residue number to residue name Hannes Loeffler
  • Re: [Open Babel] mol2 writer adds residue number to residue name Hannes Loeffler
  • Re: [Open Babel] mol2 writer adds residue number to residue name Geoffrey Hutchison
  • Re: [Open Babel] mol2 writer adds residue number to residue name Dimitri Maziuk
• [Open Babel] Forcefields in Static Executable Naveen Jasty
  • Re: [Open Babel] Forcefields in Static Executable Geoffrey Hutchison
  • Re: [Open Babel] Forcefields in Static Executable navjas73
• [Open Babel] POSCAR to .gjf conversion error Cameron Bodenschatz
  • Re: [Open Babel] POSCAR to .gjf conversion error Noel O'Boyle
  • Re: [Open Babel] POSCAR to .gjf conversion error Cameron Bodenschatz
• [Open Babel] chirality and SMARTS pattern matching Stefano Forli
  • Re: [Open Babel] chirality and SMARTS pattern matching Craig James
  • Re: [Open Babel] chirality and SMARTS pattern matching Noel O'Boyle
  • Re: [Open Babel] chirality and SMARTS pattern matching Stefano Forli
  • Re: [Open Babel] chirality and SMARTS pattern matching Geoffrey Hutchison
  • Re: [Open Babel] chirality and SMARTS pattern matching David Hall
  • Re: [Open Babel] chirality and SMARTS pattern matching David Hall
  • Re: [Open Babel] chirality and SMARTS pattern matching Stefano Forli
• [Open Babel] Bug? / segfault with mol2 5-membered cycle (mol2format.cpp) Pascal Muller
• [Open Babel] How to assign numbers to H atoms name when converting PDB to MOL2 file? Ooker
  • Re: [Open Babel] How to assign numbers to H atoms name when converting PDB to MOL2 file? Pascal Muller
  • Re: [Open Babel] How to assign numbers to H atoms name when converting PDB to MOL2 file? Ooker
  • Re: [Open Babel] How to assign numbers to H atoms name when converting PDB to MOL2 file? Pascal Muller
  • Re: [Open Babel] How to assign numbers to H atoms name when converting PDB to MOL2 file? Pascal Muller
  • Re: [Open Babel] How to assign numbers to H atoms name when converting PDB to MOL2 file? Ooker
  • Re: [Open Babel] How to assign numbers to H atoms name when converting PDB to MOL2 file? Pascal Muller
  • Re: [Open Babel] How to assign numbers to H atoms name when converting PDB to MOL2 file? Ooker
  • Re: [Open Babel] How to assign numbers to H atoms name when converting PDB to MOL2 file? prasun kumar
  • Re: [Open Babel] How to assign numbers to H atoms name when converting PDB to MOL2 file? Ooker
• [Open Babel] Custom a new element/atom linw1
  • Re: [Open Babel] Custom a new element/atom Pascal Muller
  • Re: [Open Babel] Custom a new element/atom linw1
• [Open Babel] Cheap gucci mens shoes for wholesale hurry to buy on my store. ousoorbak
• [Open Babel] 2014 replicas louis vuitton shoes best buy from my store reviews ousoorbak
• [Open Babel] Helium 0.2.0 Release Tim Vandermeersch
  • Re: [Open Babel] Helium 0.2.0 Release David van der Spoel
  • Re: [Open Babel] Helium 0.2.0 Release Tim Vandermeersch
• [Open Babel] Getting Compile time Error For Android Installation Amit Pal
  • Re: [Open Babel] Getting Compile time Error For Android Installation Geoffrey Hutchison
  • Re: [Open Babel] Getting Compile time Error For Android Installation Amit Pal
  • Re: [Open Babel] Getting Compile time Error For Android Installation Geoffrey Hutchison
• [Open Babel] -bash: /usr/local/bin/babel: No such file or directory Holly
  • Re: [Open Babel] -bash: /usr/local/bin/babel: No such file or directory Geoffrey Hutchison
• [Open Babel] Which data format is best for getting adjacency matrix? Eva Nuenno
  • Re: [Open Babel] Which data format is best for getting adjacency matrix? Geoffrey Hutchison
• [Open Babel] Invert tetrahedral chirality in Python Stefano Forli
  • Re: [Open Babel] Invert tetrahedral chirality in Python Fredrik Wallner
  • Re: [Open Babel] Invert tetrahedral chirality in Python Stefano Forli
• [Open Babel] Build with MCVC 2013 - 86 errors when building release Joos Kiener
• [Open Babel] No substructure session in mol2 output Ooker
  • Re: [Open Babel] No substructure session in mol2 output Pascal Muller
  • Re: [Open Babel] No substructure session in mol2 output Ooker
• [Open Babel] Atom mapping for Reaction SMILES Rudesh.AZ
  • Re: [Open Babel] Atom mapping for Reaction SMILES Noel O'Boyle
  • Re: [Open Babel] Atom mapping for Reaction SMILES Dave Wood
• [Open Babel] Read pdb files in C++ Nicolas Cheron
  • Re: [Open Babel] Read pdb files in C++ Pascal Muller
  • Re: [Open Babel] Read pdb files in C++ Nicolas Cheron
• [Open Babel] Convert double bond type Joos Kiener
  • Re: [Open Babel] Convert double bond type Geoffrey Hutchison
• [Open Babel] trying to implement chemical structure matching ANKIT RUNGTA
  • Re: [Open Babel] trying to implement chemical structure matching Geoffrey Hutchison
  • Re: [Open Babel] trying to implement chemical structure matching Chris Morley
• [Open Babel] Building with Perl Jeff Janes
  • Re: [Open Babel] Building with Perl Craig James
  • Re: [Open Babel] Building with Perl Geoffrey Hutchison
  • Re: [Open Babel] Building with Perl Jeff Janes
• [Open Babel] Wrong alignment of two molecules after SMARTS manipulation Giulio Pepe
  • Re: [Open Babel] Wrong alignment of two molecules after SMARTS manipulation Noel O'Boyle
  • Re: [Open Babel] Wrong alignment of two molecules after SMARTS manipulation Giulio Pepe
  • Re: [Open Babel] Wrong alignment of two molecules after SMARTS manipulation Noel O'Boyle
  • Re: [Open Babel] Wrong alignment of two molecules after SMARTS manipulation Giulio Pepe
• [Open Babel] borked svg #2 Dimitri Maziuk
• [Open Babel] Broken svg #1 Dimitri Maziuk
  • Re: [Open Babel] Broken svg #1 Geoffrey Hutchison
  • Re: [Open Babel] Broken svg #1 Geoffrey Hutchison
• [Open Babel] SF spam filter? Dimitri Maziuk
  • Re: [Open Babel] SF spam filter? Noel O'Boyle
  • Re: [Open Babel] SF spam filter? Dimitri Maziuk
• [Open Babel] openbabel wiki Jeff Janes
  • Re: [Open Babel] openbabel wiki Geoffrey Hutchison
• [Open Babel] MACCS fingerprint Pedro Reis
  • Re: [Open Babel] MACCS fingerprint Geoffrey Hutchison
• [Open Babel] Error with inchi dependents Zack Terranova
  • Re: [Open Babel] Error with inchi dependents Geoffrey Hutchison
• [Open Babel] how to set smiles write options programmatically hannes2horns
• [Open Babel] First official release of ACPC, a ligand-based virtual screening open source tool Francois Berenger
• [Open Babel] addFragment Derick Weis
  • Re: [Open Babel] addFragment Geoffrey Hutchison
• [Open Babel] energy minimization output Haripriya M
• [Open Babel] Substructure searching Jacob Durrant
  • Re: [Open Babel] Substructure searching Francois Berenger
  • Re: [Open Babel] Substructure searching Fredrik Wallner
  • Re: [Open Babel] Substructure searching Jacob Durrant
• [Open Babel] The SMILES of Hip (protonated Histine) is wrong ? Jiaguo
  • Re: [Open Babel] The SMILES of Hip (protonated Histine) is wrong ? Fredrik Wallner
  • Re: [Open Babel] The SMILES of Hip (protonated Histine) is wrong ? Pascal Muller
  • Re: [Open Babel] The SMILES of Hip (protonated Histine) is wrong ? Jiaguo
  • Re: [Open Babel] The SMILES of Hip (protonated Histine) is wrong ? Pascal Muller
  • Re: [Open Babel] The SMILES of Hip (protonated Histine) is wrong ? Jiaguo
  • Re: [Open Babel] The SMILES of Hip (protonated Histine) is wrong ? Jiaguo
  • Re: [Open Babel] The SMILES of Hip (protonated Histine) is wrong ? Pascal Muller
• Re: [Open Babel] Generating a diverse set of conformers (Douglas Houston) Chris Swain
  • Re: [Open Babel] Generating a diverse set of conformers (Douglas Houston) Noel O'Boyle
• [Open Babel] Conversion to SVG Chris Swain
  • Re: [Open Babel] Conversion to SVG Geoffrey Hutchison
• [Open Babel] substructure search using molecule as query Andrew Dalke
  • Re: [Open Babel] substructure search using molecule as query Craig James
  • Re: [Open Babel] substructure search using molecule as query Andrew Dalke
  • Re: [Open Babel] substructure search using molecule as query Craig James
  • Re: [Open Babel] substructure search using molecule as query Andrew Dalke
• [Open Babel] Is it possible to change forcefield when using --gen3d? alchemist
  • Re: [Open Babel] Is it possible to change forcefield when using --gen3d? Fredrik Wallner
  • Re: [Open Babel] Is it possible to change forcefield when using --gen3d? alchemist
  • Re: [Open Babel] Is it possible to change forcefield when using --gen3d? mlardy
  • Re: [Open Babel] Is it possible to change forcefield when using --gen3d? mlardy
  • Re: [Open Babel] Is it possible to change forcefield when using --gen3d? Geoffrey Hutchison
• [Open Babel] Creating an OBMol by hand in C++ Nicolas Cheron
  • Re: [Open Babel] Creating an OBMol by hand in C++ David Hall
  • Re: [Open Babel] Creating an OBMol by hand in C++ Nicolas Cheron
• Re: [Open Babel] Generating a diverse set of conformers Douglas Houston
  • Re: [Open Babel] Generating a diverse set of conformers Douglas Houston
  • Re: [Open Babel] Generating a diverse set of conformers Noel O'Boyle
  • Re: [Open Babel] Generating a diverse set of conformers Douglas Houston
  • Re: [Open Babel] Generating a diverse set of conformers Fredrik Wallner
  • Re: [Open Babel] Generating a diverse set of conformers Douglas Houston
  • Re: [Open Babel] Generating a diverse set of conformers Noel O'Boyle
  • Re: [Open Babel] Generating a diverse set of conformers Douglas Houston
  • Re: [Open Babel] Generating a diverse set of conformers Douglas Houston
  • Re: [Open Babel] Generating a diverse set of conformers Douglas Houston
  • Re: [Open Babel] Generating a diverse set of conformers Douglas Houston
  • Re: [Open Babel] Generating a diverse set of conformers Douglas Houston
  • Re: [Open Babel] Generating a diverse set of conformers Fredrik Wallner
  • Re: [Open Babel] Generating a diverse set of conformers Douglas Houston
  • Re: [Open Babel] Generating a diverse set of conformers Douglas Houston
  • Re: [Open Babel] Generating a diverse set of conformers Maciek Wójcikowski
  • Re: [Open Babel] Generating a diverse set of conformers Maciek Wójcikowski
  • Re: [Open Babel] Generating a diverse set of conformers Douglas Houston
  • Re: [Open Babel] Generating a diverse set of conformers Douglas Houston
  • Re: [Open Babel] Generating a diverse set of conformers Fredrik Wallner
  • Re: [Open Babel] Generating a diverse set of conformers Maciek Wójcikowski
  • Re: [Open Babel] Generating a diverse set of conformers Fredrik Wallner
• [Open Babel] Output multiple files from OpenBabel in Windows error404
  • Re: [Open Babel] Output multiple files from OpenBabel in Windows Pascal Muller
• [Open Babel] Get atom force field types John Doe
  • Re: [Open Babel] Get atom force field types Nicolas Cheron
  • Re: [Open Babel] Get atom force field types John Doe
  • Re: [Open Babel] Get atom force field types Dimitri Maziuk
• [Open Babel] Copy molecule (Python) ntropia
  • Re: [Open Babel] Copy molecule (Python) Stefano Forli
• [Open Babel] C++ / segfault / "open file" change? Pascal Muller
  • Re: [Open Babel] C++ / segfault / "open file" change? Pascal Muller
  • Re: [Open Babel] C++ / segfault / "open file" change? Noel O'Boyle
  • Re: [Open Babel] C++ / segfault / "open file" change? Pascal Muller
  • [Open Babel] Fwd: C++ / segfault / "open file" change? Pascal Muller

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