# # Write atomic partial charges as circles with numbers. # reset;center {-0.6585000000000001 -0.291 0.393}; rotate z 92.1; rotate y 106.2; rotate z -90.16; zoom 201.43; frame TITLE "Delay while charges are being defined" delay 1 delay 1 frame all select *.N, *.C1, *.C2, *.C3,*.H, *.2H, *.1H, *.3CL, *.H1, *.H2, *.H3 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