Create XYZ File using Open Babel - English

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Outline:
Load the water molecule using Get MOL in Jmol.
Save the structure as .mol file
Create a SMILES string using the 2D editor tool in Jmol.
Convert the SMILES format to xyz file format in Open Babel.
Download the xyz coordinates.
Width:800 Height:600
Duration:00:07:10 Size:5.1 MB

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Pre-requisite

Installation of ORCA on Linux

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  • Slides-openbabel-new/
  • Slides-openbabel-new/Create-xyz-file-using-Openbabel.pdf
  • Slides-openbabel-new/Create-xyz-file-using-Openbabel.tex
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