Morph residues gui.py
if (have_coot_python):
if coot_python.main_menubar():
menu = coot_menubar_menu("Morph")
add_simple_coot_menu_menuitem(
menu,
"Morph Fit This Molecule",
lambda func:
using_active_atom(morph_fit_all, "aa_imol", 10)
)
add_simple_coot_menu_menuitem(
menu,
"Morph Fit This Chain",
lambda func:
using_active_atom(morph_fit_chain, "aa_imol", "aa_chain_id", 10)
)
def morph_fit_region_func(select_radius, morph_radius):
with UsingActiveAtom() as \
[aa_imol, aa_chain_id, aa_res_no, aa_ins_code,
aa_atom_name, aa_alt_conf]:
central_residue = [aa_chain_id, aa_res_no, aa_ins_code]
other_residues = residues_near_residue(aa_imol,
central_residue,
select_radius)
morph_residues = [central_residue] + other_residues
morph_fit_residues(aa_imol, morph_residues, morph_radius)
add_simple_coot_menu_menuitem(
menu,
"Morph Fit This Region 12 9",
lambda func:
morph_fit_region_func(12, 9)
)
add_simple_coot_menu_menuitem(
menu,
"Morph Fit This Region 8 6",
lambda func:
morph_fit_region_func(8, 6)
)
add_simple_coot_menu_menuitem(
menu,
"Jiggle-fit This Molecule",
lambda func:
using_active_atom(fit_molecule_to_map_by_random_jiggle,
"aa_imol", 1000, 2)
)
Load with:
Calculate->Run Script
Or put the file in e.g. .coot-preferences directory to make it permanent.