#isosurface select {~xxx} colorscheme "rwb" molecular color range -0.306 0.306 map mep load files "ethane-series-ethanol.mol2" "ethane-series-propionic.mol2" "ethane-series-amine.mol2" "ethane-series-amide.mol2" "ethane-series-butane.mol2" "ethane-series.mol2" isosurfaceFlag = false translucentFlag = false highlightFuncGroupFlag = true select model=1.1 and (atomno=8, atomno=9) define ~funcGroup1 selected select model=2.1 and (atomno=2, atomno=4, atomno=5, atomno=10) define ~funcGroup2 selected select model=3.1 and (atomno=1, atomno=10, atomno=9) define ~funcGroup3 selected select model=4.1 and (atomno=3, atomno=4, atomno=5, atomno=10, atomno=11) define ~funcGroup4 selected select model=5.1 and (atomno>7 and atomno<15) define ~funcGroup5 selected select model=6.1 and (atomno=2) define ~funcGroup6 selected select ~funcGroup1, ~funcGroup2, ~funcGroup3, ~funcGroup4, ~funcGroup5, ~funcGroup6 define ~funcGroupsAll selected select ~funcGroupsAll halos on color halos yellow function atomColorEchos set echo atomColorEcho 0% 0% font echo 9 sans bold color echo white echo "Atoms:" set echo carbEcho 20% 0% font echo 9 sans bold color echo gray echo "carbon" set echo oxEcho 37% 0% font echo 9 sans bold color echo red echo "oxygen" set echo nitroEcho 55% 0% font echo 9 sans bold color echo blue echo "nitrogen" set echo hydEcho 75% 0% font echo 9 sans bold color echo white echo "hydrogen" end function