openbabel-discuss
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[Open Babel] How to use the GetNextFragment() function in the OBMol class (Python)
Lux QC
[Open Babel] ImportError: cannot import name 'OBElementTable' from 'openbabel' (unknown location)
Thomas Evangelidis
Re: [Open Babel] ImportError: cannot import name 'OBElementTable' from 'openbabel' (unknown location)
Noel O'Boyle
[Open Babel] PDBQT format convert problem
严 鑫
[Open Babel] Pybel error
Quang Le
Re: [Open Babel] Pybel error
Geoffrey Hutchison
[Open Babel] problem with --gen3D
alfredoq
[Open Babel] Openbabel issue
Aljawharah A. Alqathama
Re: [Open Babel] Openbabel issue
Craig James
[Open Babel] Segmentation fault when writing as gzipped
Tim Dudgeon
[Open Babel] protonation using Python
Tim Dudgeon
Re: [Open Babel] protonation using Python
Noel O'Boyle
Re: [Open Babel] protonation using Python
Tim Dudgeon
Re: [Open Babel] protonation using Python
Stefano Forli
Re: [Open Babel] protonation using Python
Noel O'Boyle
[Open Babel] Compression using Python API
Tim Dudgeon
Re: [Open Babel] Compression using Python API
Tim Dudgeon
Re: [Open Babel] Compression using Python API
Geoffrey Hutchison
[Open Babel] Binary fingerprints?
Amber Alley
Re: [Open Babel] Binary fingerprints?
Jeff Janes
Re: [Open Babel] Binary fingerprints?
Andrew Dalke
Re: [Open Babel] Binary fingerprints?
Jeff Janes
Re: [Open Babel] Binary fingerprints?
Andrew Dalke
Re: [Open Babel] Binary fingerprints?
John Mayfield
[Open Babel] question on babel
Dmitry Tsyganov
[Open Babel] Open babel selfstarts
anrozina via OpenBabel-discuss
Re: [Open Babel] Open babel selfstarts
Geoffrey Hutchison
Re: [Open Babel] Open babel selfstarts
Chris Swain via OpenBabel-discuss
Re: [Open Babel] Open babel selfstarts
Geoffrey Hutchison
[Open Babel] Python Docker image
moritz . beber
Re: [Open Babel] Python Docker image
Dimitri Maziuk via OpenBabel-discuss
Re: [Open Babel] Python Docker image
Dimitri Maziuk via OpenBabel-discuss
Re: [Open Babel] Python Docker image
moritz . beber
Re: [Open Babel] Python Docker image
Dimitri Maziuk via OpenBabel-discuss
Re: [Open Babel] Python Docker image
Dimitri Maziuk via OpenBabel-discuss
[Open Babel] questions about new install on Windows 10
Steven Wathen
Re: [Open Babel] questions about new install on Windows 10
Tayeb Kakeshpour
Re: [Open Babel] questions about new install on Windows 10
Geoffrey Hutchison
[Open Babel] How to change default tool tip of svg rendered image
Spencer Trinh
Re: [Open Babel] Disabling additional molecule generation in Obabel
Geoffrey Hutchison
[Open Babel] information loss while using Open Babel
Shachar Barkai
Re: [Open Babel] information loss while using Open Babel
Geoffrey Hutchison
[Open Babel] Contributed code for new file format
Paul Becherer
Re: [Open Babel] Contributed code for new file format
Noel O'Boyle
Re: [Open Babel] Contributed code for new file format
Paul Becherer
Re: [Open Babel] Contributed code for new file format
Geoffrey Hutchison
Re: [Open Babel] Contributed code for new file format
Paul Becherer
Re: [Open Babel] Contributed code for new file format
Geoffrey Hutchison
Re: [Open Babel] Contributed code for new file format
Paul Becherer
Re: [Open Babel] Contributed code for new file format
Geoffrey Hutchison
Re: [Open Babel] Contributed code for new file format
Paul Becherer
Re: [Open Babel] Contributed code for new file format
Chris Swain via OpenBabel-discuss
[Open Babel] ImportError: DLL load failed
Matthew Bliss
Re: [Open Babel] ImportError: DLL load failed
Tayeb Kakeshpour
Re: [Open Babel] ImportError: DLL load failed
Noel O'Boyle
Re: [Open Babel] ImportError: DLL load failed
Matthew Bliss
Re: [Open Babel] ImportError: DLL load failed
Noel O'Boyle
[Open Babel] SDF file - meta data ignored on conversion
gehtalles
Re: [Open Babel] SDF file - meta data ignored on conversion
Geoffrey Hutchison
Re: [Open Babel] SDF file - meta data ignored on conversion
Craig James
[Open Babel] Some questons
Remming, Robin
Re: [Open Babel] Some questons
Scalfani, Vincent
Re: [Open Babel] Some questons
Geoffrey Hutchison
Re: [Open Babel] Some questons
Dimitri Maziuk via OpenBabel-discuss
Re: [Open Babel] Some questons
Igor Filippov
[Open Babel] Set UnitCell of molecule in Python
Henrique Musseli Cezar
[Open Babel] install openbabel on pythonanywhere server
Spencer Trinh
Re: [Open Babel] install openbabel on pythonanywhere server
Noel O'Boyle
[Open Babel] Problem with ring detection
Tang, Dai
Re: [Open Babel] Problem with ring detection
Noel O'Boyle
[Open Babel] Python 2.7.15 cannot find Open Babel 2.4.1
Ruben Kuiper
Re: [Open Babel] Python 2.7.15 cannot find Open Babel 2.4.1
Tayeb Kakeshpour
Re: [Open Babel] Python 2.7.15 cannot find Open Babel 2.4.1
Noel O'Boyle
[Open Babel] Open Babel installation for PyMOL Optimize
Ross Munce
Re: [Open Babel] Open Babel installation for PyMOL Optimize
Geoffrey Hutchison
[Open Babel] NxN Tanimoto similarity calculations/searches
John Hutchinson
Re: [Open Babel] NxN Tanimoto similarity calculations/searches
Noel O'Boyle
[Open Babel] changes to fingerprint generation, and FPS output
Andrew Dalke
Re: [Open Babel] changes to fingerprint generation, and FPS output
Noel O'Boyle
Re: [Open Babel] changes to fingerprint generation, and FPS output
Noel O'Boyle
Re: [Open Babel] changes to fingerprint generation, and FPS output
Andrew Dalke
Re: [Open Babel] changes to fingerprint generation, and FPS output
Noel O'Boyle
Re: [Open Babel] changes to fingerprint generation, and FPS output
Andrew Dalke
Re: [Open Babel] changes to fingerprint generation, and FPS output
Noel O'Boyle
[Open Babel] initial OBConversion output index and format plugin initialization
Andrew Dalke
Re: [Open Babel] initial OBConversion output index and format plugin initialization
Andrew Dalke
[Open Babel] be removed from the list
Yu Guo
Re: [Open Babel] be removed from the list
Noel O'Boyle
Re: [Open Babel] be removed from the list
Hendrik Vennekate
[Open Babel] Help using Pybel in Microsoft Visual Studio and from within batch file
amprimiriam
Re: [Open Babel] Help using Pybel in Microsoft Visual Studio and from within batch file
Geoffrey Hutchison
[Open Babel] generate image dynamically
Spencer Trinh
Re: [Open Babel] generate image dynamically
Noel O'Boyle
Re: [Open Babel] generate image dynamically
Dmitri Maziuk via OpenBabel-discuss
Re: [Open Babel] generate image dynamically
Dimitri Maziuk via OpenBabel-discuss
Re: [Open Babel] generate image dynamically
Dimitri Maziuk via OpenBabel-discuss
[Open Babel] BUG? (Re: generate image dynamically)
Dimitri Maziuk via OpenBabel-discuss
Re: [Open Babel] BUG? (Re: generate image dynamically)
Fredrik Wallner
Re: [Open Babel] BUG? (Re: generate image dynamically)
Dimitri Maziuk via OpenBabel-discuss
Re: [Open Babel] BUG? (Re: generate image dynamically)
Dimitri Maziuk via OpenBabel-discuss
Re: [Open Babel] BUG? (Re: generate image dynamically)
Spencer Trinh
Re: [Open Babel] BUG? (Re: generate image dynamically)
Spencer Trinh
Re: [Open Babel] BUG? (Re: generate image dynamically)
Dmitri Maziuk via OpenBabel-discuss
Re: [Open Babel] BUG? (Re: generate image dynamically)
Spencer Trinh
Re: [Open Babel] BUG? (Re: generate image dynamically)
Dimitri Maziuk via OpenBabel-discuss
Re: [Open Babel] BUG? (Re: generate image dynamically)
Spencer Trinh
Re: [Open Babel] BUG? (Re: generate image dynamically)
Dimitri Maziuk via OpenBabel-discuss
Re: [Open Babel] generate image dynamically
Christina Frances Sandall
Re: [Open Babel] generate image dynamically
Dmitri Maziuk via OpenBabel-discuss
Re: [Open Babel] generate image dynamically
Dimitri Maziuk via OpenBabel-discuss
[Open Babel] Open Babel installation on Mac
Zabdiel Alvarado Martinez
Re: [Open Babel] Open Babel installation on Mac
Noel O'Boyle
Re: [Open Babel] Open Babel installation on Mac
Chris Swain via OpenBabel-discuss
[Open Babel] atom mapped RXN file to PNG
gpreciat
Re: [Open Babel] atom mapped RXN file to PNG
Noel O'Boyle
[Open Babel] please remove me from mailing list
rekha kandula
[Open Babel] print out UFF/DREIDING gradients on Atoms
Yury Minenkov
[Open Babel] Weighted rotor search in parallel
Michele Galasso
Re: [Open Babel] Weighted rotor search in parallel
Noel O'Boyle
[Open Babel] << ECFP4 in OpenBabel >>
I. Camps
Re: [Open Babel] << ECFP4 in OpenBabel >>
Francois Berenger
Re: [Open Babel] << ECFP4 in OpenBabel >>
Geoffrey Hutchison
Re: [Open Babel] << ECFP4 in OpenBabel >>
I. Camps
Re: [Open Babel] << ECFP4 in OpenBabel >>
Noel O'Boyle
Re: [Open Babel] << ECFP4 in OpenBabel >>
Noel O'Boyle
Re: [Open Babel] << ECFP4 in OpenBabel >>
Francois Berenger
[Open Babel] how to transform the cif format of the nonstandard amino acid to pdb format
gy
Re: [Open Babel] how to transform the cif format of the nonstandard amino acid to pdb format
Geoffrey Hutchison
[Open Babel] abstracting xyz help
Yu Guo
Re: [Open Babel] abstracting xyz help
Geoffrey Hutchison
[Open Babel] Determining if carbons are hydrophobic
Leif Peterson
Re: [Open Babel] Determining if carbons are hydrophobic
Noel O'Boyle
[Open Babel] Hydrophobic carbons
Leif Peterson
[Open Babel] Math multiplication symbol in SMARTs
Leif Peterson
Re: [Open Babel] Math multiplication symbol in SMARTs
Noel O'Boyle
Re: [Open Babel] Math multiplication symbol in SMARTs
Craig James
Re: [Open Babel] Math multiplication symbol in SMARTs
Leif Peterson
Re: [Open Babel] Math multiplication symbol in SMARTs
Noel O'Boyle
Re: [Open Babel] Math multiplication symbol in SMARTs
Geoffrey Hutchison
[Open Babel] filtering conformers based on RMSD
Tayeb Kakeshpour
[Open Babel] Aromaticity perception/parsing
Stefano Forli
Re: [Open Babel] Aromaticity perception/parsing
Noel O'Boyle
Re: [Open Babel] Aromaticity perception/parsing
Stefano Forli
[Open Babel] python3 bindings bug updates?
Bennion, Brian via OpenBabel-discuss
Re: [Open Babel] python3 bindings bug updates?
Noel O'Boyle
Re: [Open Babel] python3 bindings bug updates?
Bennion, Brian via OpenBabel-discuss
Re: [Open Babel] python3 bindings bug updates?
Noel O'Boyle
Re: [Open Babel] python3 bindings bug updates?
Bennion, Brian via OpenBabel-discuss
[Open Babel] Generation 3D structure algorithm
Беляева Екатерина
Re: [Open Babel] Generation 3D structure algorithm
Geoffrey Hutchison
[Open Babel] OpenBabel Knime node
Heather Lambert
Re: [Open Babel] OpenBabel Knime node
Noel O'Boyle
Re: [Open Babel] OpenBabel Knime node
Stephen Roughley via OpenBabel-discuss
Re: [Open Babel] OpenBabel Knime node
Geoffrey Hutchison
[Open Babel] sulfonamide NH2 hydrogens
Susan Leung
Re: [Open Babel] sulfonamide NH2 hydrogens
Noel O'Boyle
[Open Babel] 4th Advanced in silico Drug Design workshop in Olomouc
Thomas Evangelidis
[Open Babel] What is the time complexity of generating a canonical SMILES
Xianghai Sheng
Re: [Open Babel] What is the time complexity of generating a canonical SMILES
Andrew Dalke
Re: [Open Babel] What is the time complexity of generating a canonical SMILES
Noel O'Boyle
Re: [Open Babel] What is the time complexity of generating a canonical SMILES
Xianghai Sheng
Re: [Open Babel] What is the time complexity of generating a canonical SMILES
Noel O'Boyle
Re: [Open Babel] What is the time complexity of generating a canonical SMILES
Noel O'Boyle
[Open Babel] Stripping salts (counter ions) before docking
Leif Peterson
Re: [Open Babel] Stripping salts (counter ions) before docking
Noel O'Boyle
[Open Babel] Adding hydrogens before docking
Leif Peterson
Re: [Open Babel] Adding hydrogens before docking
Noel O'Boyle
Re: [Open Babel] Adding hydrogens before docking
Maciek Wójcikowski
Re: [Open Babel] Adding hydrogens before docking
Leif Peterson
[Open Babel] Internal to cartesian conversion
todonnel
Re: [Open Babel] Bounce action notification
Geoffrey Hutchison
[Open Babel] Internal to cartesian conversion
todonnel
[Open Babel] Help with compiling the language bindings
Christina Frances Sandall
Re: [Open Babel] Help with compiling the language bindings
Tayeb Kakeshpour
Re: [Open Babel] Reg: different ECFP4 tanimoto value between rdkit and obabel
Noel O'Boyle
[Open Babel] sdf to mol2 converter issue with aromatics
Thomas Evangelidis
Re: [Open Babel] sdf to mol2 converter issue with aromatics
Noel O'Boyle
[Open Babel] append user numerical descriptors?
Scalfani, Vincent
Re: [Open Babel] append user numerical descriptors?
Noel O'Boyle
[Open Babel] Multiple ligand energy minimization, write to single mol2
Leif Peterson
Re: [Open Babel] Multiple ligand energy minimization, write to single mol2
Geoffrey Hutchison
[Open Babel] Ring Perception Using Pybel
tayeb127
Re: [Open Babel] Ring Perception Using Pybel
Stefano Forli
Re: [Open Babel] Ring Perception Using Pybel
tayeb127
Re: [Open Babel] Ring Perception Using Pybel
Noel O'Boyle
[Open Babel] Aromatic bonds
Don Kelsey
Re: [Open Babel] Aromatic bonds
Geoffrey Hutchison
Re: [Open Babel] Aromatic bonds
Noel O'Boyle
Re: [Open Babel] Aromatic bonds
Noel O'Boyle
Re: [Open Babel] Aromatic bonds
Geoffrey Hutchison
Re: [Open Babel] Aromatic bonds
Don Kelsey
Re: [Open Babel] Aromatic bonds
Geoffrey Hutchison
Re: [Open Babel] Aromatic bonds
Don Kelsey
[Open Babel] Augmented Reality
Chris Swain via OpenBabel-discuss
[Open Babel] Documentation Issue
Nathan Jenkins
Re: [Open Babel] Documentation Issue
Noel O'Boyle
[Open Babel] Coding guidelines on style, standards, dependencies
David Toneian
Re: [Open Babel] Coding guidelines on style, standards, dependencies
Geoffrey Hutchison
[Open Babel] convert several out files to hin or mol
Mohammad Goodarzi
Re: [Open Babel] convert several out files to hin or mol
Geoffrey Hutchison
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