48 lines
811 B
Python
48 lines
811 B
Python
# This example mutates every residue of a chain to alanine.
|
|
|
|
# load a structure
|
|
|
|
cmd.load("$TUT/1hpv.pdb")
|
|
|
|
# activate the mutagensis wizard
|
|
|
|
cmd.wizard("mutagenesis")
|
|
|
|
# set target residue type
|
|
|
|
cmd.get_wizard().set_mode("ALA")
|
|
|
|
from pymol import stored
|
|
stored.list = []
|
|
|
|
# generate our list of residues (CA-atoms) to mutate
|
|
|
|
cmd.iterate("1hpv//A//CA",
|
|
"stored.list.append('/'.join([model,segi,chain,resi,name]))")
|
|
|
|
# now iterate through each residue
|
|
|
|
for sele in stored.list:
|
|
|
|
# pick a residue
|
|
|
|
cmd.edit(sele)
|
|
|
|
# notify the wizard about the picked residue
|
|
|
|
cmd.get_wizard().do_pick(0)
|
|
|
|
# apply the mutation
|
|
|
|
cmd.get_wizard().apply()
|
|
|
|
# update the screen, showing the mutation
|
|
|
|
cmd.indicate("byres "+sele)
|
|
cmd.refresh()
|
|
|
|
# now close the wizard
|
|
|
|
cmd.set_wizard()
|
|
cmd.deselect()
|