# # Write atomic partial charges as circles with numbers. # reset;center {-0.0045000000000000595 -0.23399999999999999 0.0005000000000000004}; rotate z -163.71; rotate y 10.12; rotate z 163.16; zoom 183.36; frame TITLE "Delay while charges are being defined" delay 1 delay 1 frame all select *.N, *.H 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 palindrome; animation on