avogadro-discuss  

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• • Re: [Avogadro-Discuss] Calculation of molecular dimensions lgontran
• Re: [Avogadro-Discuss] Avogadro-Discuss Digest, Vol 46, Issue 4 murpholino peligro
• Re: [Avogadro-Discuss] The defect site changes place after rotation! David Lonie
  • Re: [Avogadro-Discuss] The defect site changes place after rotation! 李文凡
  • Re: [Avogadro-Discuss] The defect site changes place after rotation! David Lonie
  • Re: [Avogadro-Discuss] The defect site changes place after rotation! 李文凡
  • Re: [Avogadro-Discuss] The defect site changes place after rotation! David Lonie
  • Re: [Avogadro-Discuss] The defect site changes place after rotation! 李文凡
• [Avogadro-Discuss] How to change the color of the unit cell box? 李文凡
  • Re: [Avogadro-Discuss] How to change the color of the unit cell box? David Lonie
  • Re: [Avogadro-Discuss] How to change the color of the unit cell box? 李文凡
• [Avogadro-Discuss] Custom color Dr. Attila Bende
• [Avogadro-Discuss] read gaussian input file? Randy Bin Lin
  • Re: [Avogadro-Discuss] read gaussian input file? Marcus D. Hanwell
  • Re: [Avogadro-Discuss] read gaussian input file? Andrew Yeung
  • Re: [Avogadro-Discuss] read gaussian input file? Geoffrey Hutchison
• [Avogadro-Discuss] Avogadro up-to-date holgermw
  • Re: [Avogadro-Discuss] Avogadro up-to-date Geoffrey Hutchison
• [Avogadro-Discuss] could the Avogadro show the Mulliken charges Su Su
• [Avogadro-Discuss] Fwd: [Avogadro-Translations] German Videotutorial for drawing molecules in Avogadro Geoffrey Hutchison
• Re: [Avogadro-Discuss] segfault or reading ABINIT file David Lonie
  • Re: [Avogadro-Discuss] segfault or reading ABINIT file Cohen, Ron
  • Re: [Avogadro-Discuss] segfault or reading ABINIT file Marcus D. Hanwell
• [Avogadro-Discuss] Questions about: number of chemical bonds and different force fields Carlos Guilherme Goncalves de Azevedo
  • Re: [Avogadro-Discuss] Questions about: number of chemical bonds and different force fields Marcus D. Hanwell
• [Avogadro-Discuss] regarding error in compiling avogadro Dr. Amar Bahadur
• [Avogadro-Discuss] The input is not formatted as one of the following supported formats: VASP Format 李文凡
  • Re: [Avogadro-Discuss] The input is not formatted as one of the following supported formats: VASP Format David Lonie
  • Re: [Avogadro-Discuss] The input is not formatted as one of the following supported formats: VASP Format 李文凡
• [Avogadro-Discuss] Reg- compiling error Avogadro Dr. Amar Bahadur
  • Re: [Avogadro-Discuss] Reg- compiling error Avogadro David Lonie
• [Avogadro-Discuss] twice fails when selecting result from plot Cohen, Ron
  • Re: [Avogadro-Discuss] twice fails when selecting result from plot Cohen, Ron
  • Re: [Avogadro-Discuss] twice fails when selecting result from plot Cohen, Ron
• [Avogadro-Discuss] Substitute the Mouse Arief Hydayat
• [Avogadro-Discuss] First Avogadro 2 beta release Marcus D. Hanwell
• Re: [Avogadro-Discuss] problem with libpng(no atom display) Benjamin
  • Re: [Avogadro-Discuss] problem with libpng(no atom display) Ganesh, Panchapakesan
  • Re: [Avogadro-Discuss] problem with libpng(no atom display) David Lonie
• [Avogadro-Discuss] Problem with libpng Benjamin ABEL
  • Re: [Avogadro-Discuss] Problem with libpng Geoffrey Hutchison
  • Re: [Avogadro-Discuss] Avogadro crashing when copying-pasting fredrik haeffner
  • Re: [Avogadro-Discuss] Avogadro crashing when copying-pasting Geoffrey Hutchison
  • Re: [Avogadro-Discuss] Avogadro crashing when copying-pasting fredrik haeffner
  • Re: [Avogadro-Discuss] Avogadro crashing when copying-pasting fredrik haeffner
  • Re: [Avogadro-Discuss] Avogadro crashing when copying-pasting Geoffrey Hutchison
  • Re: [Avogadro-Discuss] Avogadro crashing when copying-pasting fredrik haeffner
  • Re: [Avogadro-Discuss] Avogadro crashing when copying-pasting Fred Ziegler
  • Re: [Avogadro-Discuss] Avogadro crashing when copying-pasting Geoffrey Hutchison
  • Re: [Avogadro-Discuss] Avogadro crashing when copying-pasting Fred Ziegler
  • Re: [Avogadro-Discuss] Avogadro crashing when copying-pasting fredrik haeffner
• [Avogadro-Discuss] xyz to gzmat Ibrahim (Ibrahim Awad) Awad
  • Re: [Avogadro-Discuss] xyz to gzmat Geoffrey Hutchison
• [Avogadro-Discuss] Problem loading files through a python extension Mason, Nicholas
  • Re: [Avogadro-Discuss] Problem loading files through a python extension Marcus D. Hanwell
  • Re: [Avogadro-Discuss] Problem loading files through a python extension Geoffrey Hutchison
• [Avogadro-Discuss] installation problems Cohen, Ron
  • Re: [Avogadro-Discuss] installation problems Geoffrey Hutchison
  • Re: [Avogadro-Discuss] installation problems Marcus D. Hanwell
  • Re: [Avogadro-Discuss] installation problems Cohen, Ron
  • Re: [Avogadro-Discuss] installation problems Marcus D. Hanwell
• [Avogadro-Discuss] Avogadro to lammps Ibrahim (Ibrahim Awad) Awad
  • Re: [Avogadro-Discuss] Avogadro to lammps Marcus D. Hanwell
• [Avogadro-Discuss] Where to click on a hydrogen Noel O'Boyle
  • Re: [Avogadro-Discuss] Where to click on a hydrogen Marcus D. Hanwell
  • Re: [Avogadro-Discuss] Where to click on a hydrogen Noel O'Boyle
• [Avogadro-Discuss] Crashing Fred Ziegler
  • Re: [Avogadro-Discuss] Crashing Geoffrey Hutchison
• [Avogadro-Discuss] rotating a bond Isidoro A . Gómez Parrales
  • Re: [Avogadro-Discuss] rotating a bond David Lonie
  • Re: [Avogadro-Discuss] rotating a bond Isidoro A . Gómez Parrales
• [Avogadro-Discuss] Unit cell builder Richard Overstreet
  • Re: [Avogadro-Discuss] Unit cell builder David Lonie
• [Avogadro-Discuss] Change box size in Avogadro A. Gil Santos
  • Re: [Avogadro-Discuss] Change box size in Avogadro Geoffrey Hutchison
• [Avogadro-Discuss] building slab with avogadro Rupashree Shyama Ray
  • Re: [Avogadro-Discuss] building slab with avogadro Geoffrey Hutchison
  • Re: [Avogadro-Discuss] building slab with avogadro Rupashree Shyama Ray
  • Re: [Avogadro-Discuss] building slab with avogadro Geoffrey Hutchison
  • Re: [Avogadro-Discuss] building slab with avogadro Rupashree Shyama Ray
  • Re: [Avogadro-Discuss] building slab with avogadro David Lonie
  • Re: [Avogadro-Discuss] building slab with avogadro Rupashree Shyama Ray
  • Re: [Avogadro-Discuss] building slab with avogadro Geoffrey Hutchison
• [Avogadro-Discuss] follow-up on GAMESS logfiles crashing Avogadro 1.1.0 Blake Mertz
  • Re: [Avogadro-Discuss] follow-up on GAMESS logfiles crashing Avogadro 1.1.0 Geoffrey Hutchison
• Re: [Avogadro-Discuss] crash loading GAMESS log files David Lonie
• Re: [Avogadro-Discuss] Avogadro crashing and kekulize Geoffrey Hutchison
  • Re: [Avogadro-Discuss] Avogadro crashing and kekulize Jens Thomas
• [Avogadro-Discuss] Fwd: A Mockup & Proposal from Zazzle... Geoffrey Hutchison
• Re: [Avogadro-Discuss] Avogadro 1.1.0 cannot deal with files with certain names? David Lonie
  • Re: [Avogadro-Discuss] Avogadro 1.1.0 cannot deal with files with certain names? David Lonie
  • Re: [Avogadro-Discuss] Avogadro 1.1.0 cannot deal with files with certain names? David Lonie
  • Re: [Avogadro-Discuss] Avogadro 1.1.0 cannot deal with files with certain names? Geoffrey Hutchison
  • Re: [Avogadro-Discuss] Avogadro 1.1.0 cannot deal with files with certain names? Xing Yin
• [Avogadro-Discuss] Binary RPM for CentOS 5.8 ... ?? Richard Walsh
  • Re: [Avogadro-Discuss] Binary RPM for CentOS 5.8 ... ?? David Lonie
• Re: [Avogadro-Discuss] Avogadro SuSe-Version problems Geoffrey Hutchison
• [Avogadro-Discuss] Inability to calculate carbon dioxide dipole moment? Steven Petrovic
  • Re: [Avogadro-Discuss] Inability to calculate carbon dioxide dipole moment? Marcus D. Hanwell
  • Re: [Avogadro-Discuss] Inability to calculate carbon dioxide dipole moment? Noel O'Boyle
  • Re: [Avogadro-Discuss] Inability to calculate carbon dioxide dipole moment? Marcus D. Hanwell
  • Re: [Avogadro-Discuss] Inability to calculate carbon dioxide dipole moment? Geoffrey Hutchison
• [Avogadro-Discuss] cut-n-paste in Avogadro running on Ubuntu fredrik haeffner
  • Re: [Avogadro-Discuss] cut-n-paste in Avogadro running on Ubuntu Marcus D. Hanwell
  • Re: [Avogadro-Discuss] cut-n-paste in Avogadro running on Ubuntu Marcus D. Hanwell
  • Re: [Avogadro-Discuss] cut-n-paste in Avogadro running on Ubuntu fredrik haeffner
  • Re: [Avogadro-Discuss] cut-n-paste in Avogadro running on Ubuntu Geoffrey Hutchison
  • Re: [Avogadro-Discuss] cut-n-paste in Avogadro running on Ubuntu Marcus D. Hanwell
  • Re: [Avogadro-Discuss] cut-n-paste in Avogadro running on Ubuntu Jens Thomas
  • Re: [Avogadro-Discuss] cut-n-paste in Avogadro running on Ubuntu Marcus D. Hanwell
• [Avogadro-Discuss] Avogadro paper published in final form Marcus D. Hanwell
• [Avogadro-Discuss] What is occupancy means in CIF file Indra Gunawan
• [Avogadro-Discuss] Positioning a molecule on a surface Didier Sebilleau
  • Re: [Avogadro-Discuss] Positioning a molecule on a surface Geoffrey Hutchison
• [Avogadro-Discuss] export an IR spectra image to a jpeg format? Alex Balboa
• [Avogadro-Discuss] Questions about dipole moments Steven Petrovic
  • Re: [Avogadro-Discuss] Questions about dipole moments Geoffrey Hutchison
  • Re: [Avogadro-Discuss] Questions about dipole moments Steven Petrovic
• Re: [Avogadro-Discuss] Applying Constraints to Nwchem Files Geoffrey Hutchison
• [Avogadro-Discuss] Remove all H except polar H John Doe
• [Avogadro-Discuss] NWChem Vibrations & Avogadro Andrew Yeung
  • Re: [Avogadro-Discuss] NWChem Vibrations & Avogadro Geoffrey Hutchison
  • Re: [Avogadro-Discuss] NWChem Vibrations & Avogadro Andrew Yeung
  • Re: [Avogadro-Discuss] NWChem Vibrations & Avogadro Geoff Hutchison
  • Re: [Avogadro-Discuss] NWChem Vibrations & Avogadro Matthew R . Siebert
  • Re: [Avogadro-Discuss] NWChem Vibrations & Avogadro Geoffrey Hutchison
• Re: [Avogadro-Discuss] atom Geoff Hutchison
• [Avogadro-Discuss] please do me a favour, answer my question maryam golbabaee
  • Re: [Avogadro-Discuss] please do me a favour, answer my question Steven Wathen
• [Avogadro-Discuss] silent installation of avogadro on windows (windows 7) Niek Buurma
  • Re: [Avogadro-Discuss] silent installation of avogadro on windows (windows 7) Geoffrey Hutchison
  • Re: [Avogadro-Discuss] silent installation of avogadro on windows (windows 7) Niek Buurma
• [Avogadro-Discuss] i have a question maryam golbabaee
• [Avogadro-Discuss] chirality William
• [Avogadro-Discuss] ions Shuster, Ryn
  • Re: [Avogadro-Discuss] ions Geoffrey Hutchison
  • Re: [Avogadro-Discuss] ions Ryn Shuster
• [Avogadro-Discuss] GAFF use John Doe
  • Re: [Avogadro-Discuss] GAFF use José Fernando Ruggiero Bachega
  • Re: [Avogadro-Discuss] GAFF use John Doe
• [Avogadro-Discuss] Configure Avogadro on Cent OS Ismail, Mohd F.
  • Re: [Avogadro-Discuss] Configure Avogadro on Cent OS Ismail, Mohd F.
  • Re: [Avogadro-Discuss] Configure Avogadro on Cent OS Geoff Hutchison
  • Re: [Avogadro-Discuss] Configure Avogadro on Cent OS Ismail, Mohd F.
  • Re: [Avogadro-Discuss] Configure Avogadro on Cent OS Marcus D. Hanwell
• [Avogadro-Discuss] Avogadro 1.1.0 Released Marcus D. Hanwell
• Re: [Avogadro-Discuss] DNA editor Philip Rhoades
  • Re: [Avogadro-Discuss] DNA editor Geoff Hutchison
• [Avogadro-Discuss] question about pharmer engine in Avogadro rochoa
• [Avogadro-Discuss] Avogadro paper pre-publication Noel O'Boyle
• [Avogadro-Discuss] Changing radius of individual atoms Dzik, Walter H.,M.D.
  • Re: [Avogadro-Discuss] Changing radius of individual atoms David Lonie
  • Re: [Avogadro-Discuss] Changing radius of individual atoms Dzik, Walter H.,M.D.
  • Re: [Avogadro-Discuss] Changing radius of individual atoms Geoff Hutchison
  • Re: [Avogadro-Discuss] Changing radius of individual atoms Dzik, Walter H.,M.D.
  • Re: [Avogadro-Discuss] Changing radius of individual atoms Ismail, Fyaz
• [Avogadro-Discuss] bonds across periodic boundary elleB
  • Re: [Avogadro-Discuss] bonds across periodic boundary David Lonie
  • Re: [Avogadro-Discuss] bonds across periodic boundary elleB
• [Avogadro-Discuss] For avogadro discussion Charithea Charalambous
• [Avogadro-Discuss] Avogadro Lunch @ ACS Philadelphia Meeting on Aug. 21st Geoffrey Hutchison
• [Avogadro-Discuss] GPU acceleration, Avogadro 2.0 James Ryley
  • Re: [Avogadro-Discuss] GPU acceleration, Avogadro 2.0 Geoff Hutchison
  • Re: [Avogadro-Discuss] GPU acceleration, Avogadro 2.0 James Ryley
  • Re: [Avogadro-Discuss] GPU acceleration, Avogadro 2.0 Geoff Hutchison
  • Re: [Avogadro-Discuss] GPU acceleration, Avogadro 2.0 James Ryley
  • Re: [Avogadro-Discuss] GPU acceleration, Avogadro 2.0 Geoff Hutchison
• [Avogadro-Discuss] povray Charles Reilly
  • Re: [Avogadro-Discuss] povray David Lonie
  • Re: [Avogadro-Discuss] povray Steven Wathen
• [Avogadro-Discuss] examples for orbitals and exporting orbital geometry Charles Reilly
• [Avogadro-Discuss] Selection of rotatable bonds in Avogadro Reinhard Vetter
  • Re: [Avogadro-Discuss] Selection of rotatable bonds in Avogadro Geoffrey Hutchison
• [Avogadro-Discuss] Display background image John 37309
  • Re: [Avogadro-Discuss] Display background image Geoffrey Hutchison
  • Re: [Avogadro-Discuss] Display background image John 37309
• [Avogadro-Discuss] Defining rotatable bonds in Avogadro Reinhard Vetter
• Re: [Avogadro-Discuss] Problem with a cube file Eric Isaacs
  • Re: [Avogadro-Discuss] Problem with a cube file Geoff Hutchison
  • Re: [Avogadro-Discuss] Problem with a cube file Roberto Di Remigio
  • Re: [Avogadro-Discuss] Problem with a cube file Geoffrey Hutchison
  • Re: [Avogadro-Discuss] Problem with a cube file Eduard Matito
• [Avogadro-Discuss] problem with basis sets format Nagat Mohammed
• [Avogadro-Discuss] Teaching and Walk-Throughs Geoffrey Hutchison
  • Re: [Avogadro-Discuss] Teaching and Walk-Throughs willsd
  • Re: [Avogadro-Discuss] Teaching and Walk-Throughs Noel O'Boyle
  • Re: [Avogadro-Discuss] Teaching and Walk-Throughs Jan Halborg Jensen
  • Re: [Avogadro-Discuss] Teaching and Walk-Throughs eric henon
  • Re: [Avogadro-Discuss] Teaching and Walk-Throughs Jens Thomas
• [Avogadro-Discuss] Avogadro Manuscript Geoffrey Hutchison
  • Re: [Avogadro-Discuss] Avogadro Manuscript Ismail, Fyaz
  • Re: [Avogadro-Discuss] Avogadro Manuscript Geoff Hutchison
  • Re: [Avogadro-Discuss] [Avogadro-devel] Avogadro Manuscript Egon Willighagen
  • Re: [Avogadro-Discuss] [Avogadro-devel] Avogadro Manuscript Geoffrey Hutchison
  • Re: [Avogadro-Discuss] [Avogadro-devel] Avogadro Manuscript Egon Willighagen
  • Re: [Avogadro-Discuss] [Avogadro-devel] Avogadro Manuscript Geoffrey Hutchison
  • Re: [Avogadro-Discuss] [Avogadro-devel] Avogadro Manuscript My Th
• [Avogadro-Discuss] Building polymer structure jyotsna tanwar
  • Re: [Avogadro-Discuss] Building polymer structure Geoffrey Hutchison
  • Re: [Avogadro-Discuss] Building polymer structure joe

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