36 lines
688 B
Promela
36 lines
688 B
Promela
# This example shows how to make a single mutation using a script
|
|
# note that no conformational analysis is done to insure
|
|
# that the resulting pose is at all reasonable.
|
|
|
|
# load a structure
|
|
|
|
load $PYMOL_PATH/test/dat/pept.pdb
|
|
|
|
# activate the mutagensis wizard
|
|
|
|
wizard mutagenesis
|
|
|
|
# set target residue type
|
|
|
|
cmd.get_wizard().set_mode("ILE")
|
|
|
|
# pick a residue
|
|
|
|
cmd.edit("pept///10/CA")
|
|
|
|
# notify the wizard about the picked residue
|
|
# (this will generate the mutation object)
|
|
|
|
cmd.get_wizard().do_pick(0)
|
|
|
|
# apply the mutation
|
|
# (this will delete the old residue,
|
|
# substitue the new one, and form
|
|
# the peptide bonds)
|
|
|
|
cmd.get_wizard().apply()
|
|
|
|
# now close the wizard
|
|
|
|
cmd.set_wizard()
|