subroutine char key_1 char key_2 real DENSITY ! set rad sele segm name SEGMENTS end vdw make map 3 init 0 unit_cell 100 100 100 90 90 90 \ grid 200 200 200 \ around 10 sele display end integer make poin init from atom map 3 surface sele display end ! dele map nmaps ! poin surf all sele key_1 .a .not atom name H* end \ ! sele key_2 .a .not atom name H* end dens DENSITY init return