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.