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vsoft:jmol

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Visualization: Jmol

Basics

See help here

Console

  1. Set up measure
    • set measurementNumbers OFF # remove measure label (https://chemapps.stolaf.edu/jmol/docs/#measure)
    • font measure 22 # size
    • set measurementUnits ANGSTROMS
    • set measureAllModels OFF # several models
    • set measurementLabels = false
    • set measure 4 # thickness
  2. How to show polyhedra?
    • polyhedra 3. (cobalt) to (oxygen) TRANSLUCENT ; polyhedra edges ;
  3. How to turn off info about unit cell?
    • set displayCellParameters False
    • set labelfront
    • label %a - show atom type and number from 0 for cif, %i - just number from 1, %e - only atom types, %D - 0based index
    • color label black
    • font label 15
  4. Setup axes
    • set axes 10 # thickness
    • axes scale 2.0 # length
    • font axes 26
    • color axes red
  5. Spin
    • Vectors scale 3 #length
    • Vectors 3 # thickness
  6. convert to gif
    • ffmpeg -framerate 60 -pattern_type glob -i '*.png' -r 15 -vf scale=512:-1 out.gif
    • ffmpeg -pattern_type glob -i '*.png' -vf scale=“'if(gt(a,640/480),640,-1)':'if(gt(a,640/480),-1,480)':eval=frame,pad=640:480:(ow-iw)/2:(oh-ih)/2:white” output.gif #to save proportions
    • convert *png mov.gif
    • convert -delay 10 *png mov.gif
  7. Other
    • set frank off # turn off jmol logo
    • color atoms TRANSLUCENT
  8. Ball and sticks
    • spacefill 20%;wireframe 0.15

Literature: How to Use Jmol to Study and Present Molecular Structures, Volume 1 By Angel Herráez

vsoft/jmol.txt · Last modified: 2024/04/26 10:15 by a.boev

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