#VMD for 2h-sasa
set protein [atomselect top "protein"]
set phob [atomselect top "hydrophobic"]
set phil [atomselect top "not hydrophobic"]
set n [molinfo top get numframes]
set myfile [open sasa.dat w ]
puts $myfile hydrophobic
for { set i 0 } { $i < $n } { incr i } {
$protein frame $i
$protein update
set myphob [measure sasa 1.4 $protein -restrict $phob]
puts $myfile $myphob
}
puts $myfile ——————————————————————————————————————————————————————————————————
puts $myfile hydrophil
for { set i 0 } { $i < $n } { incr i } {
$protein frame $i
$protein update
set myphil [measure sasa 1.4 $protein -restrict $phil]
puts $myfile $myphil
}
close $myfile
cp /Users/kunkun/sasa.dat /Users/kunkun/Desktop