Hi again, reading my post I found the bottleneck....shame on me :)
here it is:
.......
if (atomlig == "*"):
ligand = cmd.select("ligand","segi B and "+i)
atoms_lig = cmd.get_model('ligand')
for atomsL in atoms_lig.atom:
t = cmd.select("t","name "+atomsL.name)
di = cmd.distance("di","t","p")
.........
I am running twice the same loop. removing "for atomsL in
atoms_lig.atom" loop it goes faster. The problem is that now I am
getting the "di" value as average over all atoms of the ligand. How I
can get the different values in order to find the minimum distance
between the ligand and the selected residue ??
Thanks in advance
andrea
