vsoft:jmol
Table of Contents
Visualization: Jmol
Basics
See help here
Console
- 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
- How to show polyhedra?
- polyhedra 3. (cobalt) to (oxygen) TRANSLUCENT ; polyhedra edges ;
- 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
- Setup axes
- set axes 10 # thickness
- axes scale 2.0 # length
- font axes 26
- color axes red
- Spin
- Vectors scale 3 #length
- Vectors 3 # thickness
- 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
- Other
- set frank off # turn off jmol logo
- color atoms TRANSLUCENT
- 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