Hi,
I would run HOLE, which detects the tunnel/channel and generates a file
for you (SPH?) which is a pdb file with SPH (sphere) atoms corresponding
to the tunnel/channel volume.
You can select water molecules (or anything else) around these SPH atoms.
Suggestion: the ends of the tunnel are b
Hello, I was wondering if someone could help me screen for which molecules
are being found within the inside of a protein channel / near the protein
channel. I know I can search for the molecules within 3.5 A of the protein,
but this also results in finding the ones on the outside. I know this is
p
