Hi Anasuya -
One way to generate the dummy zones (i.e. get_zones() from Jason's script)
might be to step through the protein chain and create one selection around each
residue. Of course these aren't really random, but you could fairly easily
select random values from the list.
# initia
Hi Anasuya,
As you choose your zones just check for overlaps in selections. It
might look something like this:
# good zones
good_zones = set()
# some sampler you choose, just returns an array of atom selections
zones = get_zones()
for x in range(len(zones)):
for y in range(x+1,len(zones))
Hi,
I have around 18000 ligand-bound PDB's. I have as of now, extracted zones of
amino acid residues (say ZONE-1) which are within a radius of 4.5A from the
ligand, for each of the (18000) ligand-bound PDBs with me.
How do I now go about generating, similar RANDOM zones of amino acid residues
occur
