openbabel-discuss

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2017/12/06 Re: [Open Babel] Aromaticity Noel O'Boyle
2017/12/04 Re: [Open Babel] Aromaticity Sundar
2017/12/04 Re: [Open Babel] Aromaticity Craig James
2017/12/04 Re: [Open Babel] Aromaticity Noel O'Boyle
2017/12/03 Re: [Open Babel] Obabel warning while pdb to sdf conversion Noel O'Boyle
2017/12/01 [Open Babel] Obabel warning while pdb to sdf conversion Sundar
2017/11/30 [Open Babel] Aromaticity Sundar
2017/11/28 [Open Babel] ORIGINAL Passport, Driving License, (toefliets...@yahoo.com toefl1
2017/11/28 [Open Babel] ORIGINAL Passport, Driving License, ID, TOEFL / IELTS(toefliets...@yahoo.com) toefl1
2017/11/27 [Open Babel] Bioconda Chris Swain
2017/11/22 Re: [Open Babel] [EXTERNAL] Problem Converting .cdx files using Pybel Geoffrey Hutchison
2017/11/21 Re: [Open Babel] Firefly dat output error Geoffrey Hutchison
2017/11/20 Re: [Open Babel] [EXTERNAL] Re: Problem Converting .cdx files using Pybel Stanley P Kolis
2017/11/16 Re: [Open Babel] how to save the printed errors in a file Noel O'Boyle
2017/11/15 [Open Babel] how to save the printed errors in a file Sundar
2017/11/15 Re: [Open Babel] [EXTERNAL] Re: Problem Converting .cdx files using Pybel Geoffrey Hutchison
2017/11/15 Re: [Open Babel] Generating same conformers MD Simulation
2017/11/15 Re: [Open Babel] Generating same conformers Geoffrey Hutchison
2017/11/15 Re: [Open Babel] [EXTERNAL] Re: Problem Converting .cdx files using Pybel Noel O'Boyle
2017/11/15 [Open Babel] Filter on error(level) Peter Maas
2017/11/15 Re: [Open Babel] Generating same conformers MD Simulation
2017/11/15 Re: [Open Babel] Generating same conformers Geoffrey Hutchison
2017/11/15 Re: [Open Babel] Generating same conformers Geoffrey Hutchison
2017/11/15 Re: [Open Babel] Remove redundant conformers Noel O'Boyle
2017/11/15 [Open Babel] Generating same conformers MD Simulation
2017/11/13 Re: [Open Babel] Error configuring and compiling OpenBabel Jean-Marc Nuzillard
2017/11/13 Re: [Open Babel] Error configuring and compiling OpenBabel Jeff Janes
2017/11/13 [Open Babel] Error configuring and compiling OpenBabel Scott Carnahan
2017/11/13 Re: [Open Babel] [EXTERNAL] Re: Problem Converting .cdx files using Pybel Pascal Muller
2017/11/10 Re: [Open Babel] Problem Converting .cdx files using Pybel Pascal Muller
2017/11/09 [Open Babel] Problem Converting .cdx files using Pybel Stanley P Kolis
2017/11/07 [Open Babel] Remove redundant conformers MD Simulation
2017/11/07 Re: [Open Babel] error: openbabel/babelconfig.h: No such file or directory Laetitia Bomble
2017/11/06 Re: [Open Babel] error: openbabel/babelconfig.h: No such file or directory Geoffrey Hutchison
2017/11/06 [Open Babel] error: openbabel/babelconfig.h: No such file or directory Laetitia Bomble
2017/11/05 Re: [Open Babel] extract a single compound from a multimolecular sdf Craig James
2017/11/05 Re: [Open Babel] extract a single compound from a multimolecular sdf David Hall
2017/11/05 Re: [Open Babel] extract a single compound from a multimolecular sdf Sundar
2017/11/05 Re: [Open Babel] extract a single compound from a multimolecular sdf David Hall
2017/11/05 [Open Babel] extract a single compound from a multimolecular sdf Sundar
2017/11/03 Re: [Open Babel] How to handle rendering with overlaid hydrogen atoms Noel O'Boyle
2017/11/03 Re: [Open Babel] How to handle rendering with overlaid hydrogen atoms Noel O'Boyle
2017/11/01 Re: [Open Babel] Cant activate Confab CodyA
2017/10/29 Re: [Open Babel] How to handle rendering with overlaid hydrogen atoms Geoffrey Hutchison
2017/10/29 Re: [Open Babel] How to handle rendering with overlaid hydrogen atoms mark
2017/10/26 Re: [Open Babel] Unable to match hydronium ions (H3O+) and H5O2+ using SMARTS pengbai
2017/10/26 Re: [Open Babel] gen3d doesn't convert all compounds Sundar
2017/10/25 Re: [Open Babel] Migrating from MediaWiki Stefano Forli
2017/10/25 Re: [Open Babel] Unable to match hydronium ions (H3O+) and H5O2+ using SMARTS Benjamin Bucior
2017/10/25 Re: [Open Babel] single sdf to multi pdbs conversion with compound names Sundar
2017/10/25 Re: [Open Babel] Unable to match hydronium ions (H3O+) and H5O2+ using SMARTS Geoffrey Hutchison
2017/10/25 Re: [Open Babel] gen3d doesn't convert all compounds Geoffrey Hutchison
2017/10/25 Re: [Open Babel] Unable to match hydronium ions (H3O+) and H5O2+ using SMARTS Noel O'Boyle
2017/10/25 Re: [Open Babel] gen3d doesn't convert all compounds David Hall
2017/10/25 Re: [Open Babel] single sdf to multi pdbs conversion with compound names Chris Morley
2017/10/24 [Open Babel] single sdf to multi pdbs conversion with compound names Sundar
2017/10/24 Re: [Open Babel] obminimize outputs only in pdb (multimolecule pdb) Sundar
2017/10/24 Re: [Open Babel] Unable to match hydronium ions (H3O+) and H5O2+ using SMARTS pengbai
2017/10/24 Re: [Open Babel] Unable to match hydronium ions (H3O+) and H5O2+ using SMARTS Noel O'Boyle
2017/10/24 Re: [Open Babel] [OpenBabel-Devel] Migrating from MediaWiki Noel O'Boyle
2017/10/24 [Open Babel] Migrating from MediaWiki Geoffrey Hutchison
2017/10/24 [Open Babel] Unable to match hydronium ions (H3O+) and H5O2+ using SMARTS pengbai
2017/10/19 Re: [Open Babel] obminimize outputs only in pdb (multimolecule pdb) Sundar Jubilant
2017/10/19 Re: [Open Babel] obminimize outputs only in pdb (multimolecule pdb) Geoffrey Hutchison
2017/10/16 Re: [Open Babel] building openbabel with no root access Sundar Jubilant
2017/10/16 Re: [Open Babel] building openbabel with no root access Dimitri Maziuk
2017/10/16 Re: [Open Babel] building openbabel with no root access Noel O'Boyle
2017/10/16 [Open Babel] building openbabel with no root access Sundar
2017/10/16 Re: [Open Babel] Define origin for ECFP2 fingerprints Maciek Wójcikowski
2017/10/16 [Open Babel] Define origin for ECFP2 fingerprints Marcos Vinicius Da Silva Santana
2017/10/13 Re: [Open Babel] gen3d doesn't convert all compounds Sundar Jubilant
2017/10/13 Re: [Open Babel] gen3d doesn't convert all compounds David Hall
2017/10/13 Re: [Open Babel] gen3d doesn't convert all compounds Sundar
2017/10/13 Re: [Open Babel] gen3d doesn't convert all compounds Noel O'Boyle
2017/10/13 [Open Babel] obminimize outputs only in pdb (multimolecule pdb) Sundar
2017/10/13 Re: [Open Babel] gen3d doesn't convert all compounds Sundar
2017/10/13 Re: [Open Babel] gen3d doesn't convert all compounds Noel O'Boyle
2017/10/13 [Open Babel] gen3d doesn't convert all compounds Sundar
2017/10/11 Re: [Open Babel] Adding readability to gaussian input files Geoffrey Hutchison
2017/10/09 Re: [Open Babel] Adding readability to gaussian input files Xianghai Sheng
2017/10/08 Re: [Open Babel] Adding readability to gaussian input files Geoffrey Hutchison
2017/10/08 Re: [Open Babel] Adding readability to gaussian input files David van der Spoel
2017/10/08 Re: [Open Babel] installing problem Fredrik Wallner
2017/10/08 [Open Babel] Adding readability to gaussian input files Xianghai Sheng
2017/10/08 [Open Babel] installing problem Elaf Islam
2017/10/02 Re: [Open Babel] suppress "molecule converted" message to the screen David Hall
2017/10/02 Re: [Open Babel] suppress "molecule converted" message to the screen Noel O'Boyle
2017/10/02 Re: [Open Babel] suppress "molecule converted" message to the screen Noel O'Boyle
2017/10/02 [Open Babel] suppress "molecule converted" message to the screen Jose Gascon
2017/09/27 Re: [Open Babel] Guanine tautomer Noel O'Boyle
2017/09/26 [Open Babel] Guanine tautomer Stefano Forli
2017/09/22 Re: [Open Babel] OBProp calculated descriptors Noel O'Boyle
2017/09/22 [Open Babel] OBProp calculated descriptors MD Simulation
2017/09/21 Re: [Open Babel] Building of non-parallel OpenBabel 2.4.1 Igor Filippov
2017/09/21 Re: [Open Babel] Building of non-parallel OpenBabel 2.4.1 Геннадий Макаров via OpenBabel-discuss
2017/09/21 Re: [Open Babel] Building of non-parallel OpenBabel 2.4.1 Геннадий Макаров via OpenBabel-discuss
2017/09/20 Re: [Open Babel] Building of non-parallel OpenBabel 2.4.1 Geoffrey Hutchison
2017/09/20 Re: [Open Babel] Building of non-parallel OpenBabel 2.4.1 Геннадий Макаров via OpenBabel-discuss
2017/09/20 Re: [Open Babel] Building of non-parallel OpenBabel 2.4.1 Geoffrey Hutchison
2017/09/20 [Open Babel] Building of non-parallel OpenBabel 2.4.1 Геннадий Макаров via OpenBabel-discuss
2017/09/19 Re: [Open Babel] Conversion SMILES to XYZ Craig James
2017/09/18 [Open Babel] chemfp 1.3 released Andrew Dalke
2017/09/14 Re: [Open Babel] Remove similar conformers Noel O'Boyle
2017/09/14 Re: [Open Babel] Get molecular descriptor Noel O'Boyle
2017/09/14 [Open Babel] Remove similar conformers MD Simulation
2017/09/14 [Open Babel] Get molecular descriptor MD Simulation
2017/09/14 Re: [Open Babel] Conversion SMILES to XYZ (Volker Settels) Chris Swain
2017/09/13 Re: [Open Babel] Conversion SMILES to XYZ Volker Settels
2017/09/12 Re: [Open Babel] Conversion SMILES to XYZ Geoffrey Hutchison
2017/09/12 [Open Babel] Conversion SMILES to XYZ Volker Settels
2017/09/12 [Open Babel] Why Ball Mill plays an important role in mineral process, because... miningftm
2017/09/08 Re: [Open Babel] InChiKEY to SMILE Igor Filippov
2017/09/08 [Open Babel] InChiKEY to SMILE RicardoMBorges via OpenBabel-discuss
2017/09/07 Re: [Open Babel] Confab not generating structures David Hall
2017/09/07 Re: [Open Babel] Confab not generating structures Geoffrey Hutchison
2017/09/06 [Open Babel] Confab not generating structures MD Simulation
2017/08/29 Re: [Open Babel] OpenBabel-discuss Digest, Vol 135, Issue 17 Geoffrey Hutchison
2017/08/29 Re: [Open Babel] OpenBabel-discuss Digest, Vol 135, Issue 17 Chris Swain
2017/08/28 [Open Babel] Clustering in OpenBabel Marcos Vinicius Da Silva Santana
2017/08/27 Re: [Open Babel] Openbabel error in ReadFile Kohsei Tsuji
2017/08/26 Re: [Open Babel] In python how should I get a double* from C++? Xianghai Sheng
2017/08/23 Re: [Open Babel] Openbabel error in ReadFile Stefano Forli
2017/08/23 Re: [Open Babel] Openbabel error in ReadFile Geoffrey Hutchison
2017/08/22 [Open Babel] Openbabel error in ReadFile Kohsei Tsuji
2017/08/18 Re: [Open Babel] Segfault adding hydrogens in Python Noel O'Boyle
2017/08/18 Re: [Open Babel] Substructure search Noel O'Boyle
2017/08/17 [Open Babel] Substructure search Marcos Vinicius Da Silva Santana
2017/08/17 [Open Babel] Segfault adding hydrogens in Python Stefano Forli
2017/08/17 Re: [Open Babel] Substructure searching with multiple molecules Geoffrey Hutchison
2017/08/17 [Open Babel] Substructure searching with multiple molecules Marcos Vinicius Da Silva Santana
2017/08/16 Re: [Open Babel] Pdbqt output missing protein side chains David van der Spoel
2017/08/16 Re: [Open Babel] Pdbqt output missing protein side chains Stefano Forli
2017/08/16 Re: [Open Babel] Pdbqt output missing protein side chains Geoffrey Hutchison
2017/08/15 Re: [Open Babel] Pybel calcdesc Stefano Forli
2017/08/15 Re: [Open Babel] Pybel calcdesc Rafel via OpenBabel-discuss
2017/08/15 Re: [Open Babel] Pybel calcdesc Matthew Kennedy
2017/08/14 Re: [Open Babel] Pybel calcdesc Geoffrey Hutchison
2017/08/13 [Open Babel] Pybel calcdesc Matthew Kennedy
2017/08/10 Re: [Open Babel] "b" option in INOPTIONS in python Chris Morley
2017/08/10 Re: [Open Babel] "b" option in INOPTIONS in python devw
2017/08/10 Re: [Open Babel] "b" option in INOPTIONS in python devw
2017/08/09 Re: [Open Babel] Problem with pybel or python Noel O'Boyle
2017/08/09 Re: [Open Babel] Problem with pybel or python Noel O'Boyle
2017/08/09 [Open Babel] Problem with pybel or python David van der Spoel
2017/08/09 Re: [Open Babel] Pybel attribute error Noel O'Boyle
2017/08/08 [Open Babel] Pybel attribute error Kohsei Tsuji
2017/08/07 Re: [Open Babel] Put atoms of target molecule in same order as reference Geoffrey Hutchison
2017/08/07 Re: [Open Babel] Put atoms of target molecule in same order as reference Noel O'Boyle
2017/08/02 [Open Babel] Pdbqt output missing protein side chains David van der Spoel
2017/08/01 Re: [Open Babel] Put atoms of target molecule in same order as reference Geoffrey Hutchison
2017/07/30 Re: [Open Babel] "b" option in INOPTIONS in python Noel O'Boyle
2017/07/30 [Open Babel] "b" option in INOPTIONS in python devw
2017/07/25 Re: [Open Babel] Put atoms of target molecule in same order as reference CodyA
2017/07/24 Re: [Open Babel] Pybel: smi is not a recognised Open Babel format Stefano Forli
2017/07/24 Re: [Open Babel] Pybel: smi is not a recognised Open Babel format Stefano Forli
2017/07/23 Re: [Open Babel] Pybel: smi is not a recognised Open Babel format Noel O'Boyle
2017/07/23 Re: [Open Babel] Encoding error: python-openbabel/pybel Noel O'Boyle
2017/07/22 Re: [Open Babel] Put atoms of target molecule in same order as reference Noel O'Boyle
2017/07/22 [Open Babel] NSIS installation error Walid El-Sharoud
2017/07/22 [Open Babel] Put atoms of target molecule in same order as reference CodyA
2017/07/22 Re: [Open Babel] modify molecules through internal coordinates Xianghai Sheng
2017/07/21 Re: [Open Babel] modify molecules through internal coordinates Geoffrey Hutchison
2017/07/20 [Open Babel] NSIS Error Walid El-Sharoud
2017/07/18 Re: [Open Babel] Website down? Geoffrey Hutchison
2017/07/18 [Open Babel] Website down? Xianghai Sheng
2017/07/18 [Open Babel] modify molecules through internal coordinates Xianghai Sheng
2017/07/17 Re: [Open Babel] Pybel: smi is not a recognised Open Babel format Oliver Stueker
2017/07/17 [Open Babel] Pybel: smi is not a recognised Open Babel format Oliver Stueker
2017/07/13 [Open Babel] Encoding error: python-openbabel/pybel Keiron O'Shea [keo7]
2017/07/12 [Open Babel] Can I get force field gradient using openbabel or pybel? xh s
2017/07/06 [Open Babel] Error when doing SDF -> XYZ -> SDF laetis69003
2017/07/04 Re: [Open Babel] OpenSMARTS specification (?) Craig James
2017/06/30 Re: [Open Babel] OpenSMARTS specification (?) Miguel Quirós Olozábal
2017/06/30 Re: [Open Babel] OpenSMARTS specification (?) Noel O'Boyle
2017/06/30 [Open Babel] OpenSMARTS specification (?) Miguel Quirós Olozábal
2017/06/29 Re: [Open Babel] Babel on Extreme Systems Noel O'Boyle
2017/06/29 [Open Babel] Babel on Extreme Systems Nathan Jenkins via OpenBabel-discuss
2017/06/29 [Open Babel] isotopes in graphic formats chubukov
2017/06/21 [Open Babel] FP2 count of fragments bol216
2017/06/20 Re: [Open Babel] Finding the largest induced subfragment Andrew Dalke
2017/06/20 [Open Babel] Finding the largest induced subfragment Sam Tonddast-Navaei
2017/06/19 Re: [Open Babel] Submolecule from OBMol Geoffrey Hutchison
2017/06/19 Re: [Open Babel] Submolecule from OBMol Maciek Wójcikowski
2017/06/19 Re: [Open Babel] Submolecule from OBMol Maciek Wójcikowski
2017/06/19 Re: [Open Babel] Submolecule from OBMol Noel O'Boyle
2017/06/19 Re: [Open Babel] Submolecule from OBMol Andrew Dalke
2017/06/19 Re: [Open Babel] Submolecule from OBMol Geoffrey Hutchison
2017/06/19 Re: [Open Babel] Submolecule from OBMol Andrew Dalke
2017/06/19 Re: [Open Babel] Submolecule from OBMol Maciek Wójcikowski
2017/06/19 Re: [Open Babel] Submolecule from OBMol Maciek Wójcikowski
2017/06/19 Re: [Open Babel] Submolecule from OBMol Noel O'Boyle
2017/06/17 [Open Babel] Submolecule from OBMol Maciek Wójcikowski
2017/06/16 Re: [Open Babel] Is it possible to support numpy arrays in the python module? Noel O'Boyle
2017/06/16 [Open Babel] Is it possible to support numpy arrays in the python module? Davide Olianas
2017/06/14 Re: [Open Babel] Adding Hydrogens Geoffrey Hutchison
2017/06/13 Re: [Open Babel] Adding Hydrogens Noel O'Boyle
2017/06/13 [Open Babel] Adding Hydrogens Christopher Beeler
2017/06/12 Re: [Open Babel] InChI Question Hendrik Vennekate
2017/06/12 Re: [Open Babel] install error Noel O'Boyle
2017/06/12 Re: [Open Babel] install error Noel O'Boyle