# # Write atomic partial charges as circles with numbers. # reset;center {0.5475 0.2815 0.4155}; rotate z -9.5; rotate y 26.16; rotate z -35.16; zoom 247.16; translate x 0.0; translate y 1.5; set rotationRadius 6.49; frame TITLE "Delay while charges are being defined" delay 1 frame all select *.C2, *.C3, *.O, *.1H, *.2H, *.3H, *.H, *.1H3, *.2H3 var sel = {selected}; for (var x IN @sel){ select @x; var txt = @x.temperature*0.5; if (@txt > 0){spacefill @txt;}; if (!@txt > 0){txt = -txt; spacefill @txt; }; txt = (x.temperature > 0 ? '+':'')+format('%1.2f',x.temperature ); label @txt; color label black; set labelOffset 0 0;} select 0; frame TITLE "Frame : @{_modelNumber}" animation mode loop; animation on # # Notes # # For slow-motion, type "animation FPS 4" in the console. # The transition state is at Frame 62. # To see this, type "FRAME 62" in the console. # #