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add_key_binding("Refine Active Residue", "r", lambda: fitting.manual_refine_residues(0))
add_key_binding("Refine Active Residue AA", "x", lambda: fitting.refine_active_residue())
add_key_binding("Triple Refine", "t", lambda: fitting.manual_refine_residues(1))
add_key_binding("Autofit Rotamer", "j", lambda: fitting.auto_fit_rotamer_active_residue())
add_key_binding("Pepflip", "q", lambda: fitting.pepflip_active_residue())
add_key_binding("Go To Blob", "g", lambda: coot.blob_under_pointer_to_screen_centre())
add_key_binding("Eigen-flip Ligand", "e", lambda: coot_utils.flip_active_ligand())
add_key_binding("Add Water", "w", lambda: coot.place_typed_atom_at_pointer("Water"))
def add_water_in_blob():
coot.blob_under_pointer_to_screen_centre()
coot.place_typed_atom_at_pointer("Water")
fitting.refine_active_residue()
add_key_binding("Add Water + (centre+refine)", "W", lambda: add_water_in_blob())
def key_binding_func_1():
active_atom = active_residue()
if (not active_atom):
print("No active atom")
else:
imol = active_atom[0]
chain_id = active_atom[1]
res_no = active_atom[2]
ins_code = active_atom[3]
atom_name = active_atom[4]
alt_conf = active_atom[5]
coot.add_terminal_residue(imol, chain_id, res_no, "auto", 1)
add_key_binding("Add terminal residue", "y", lambda: key_binding_func_1())
def key_binding_func_2():
active_atom = active_residue()
if (not active_atom):
print("No active atom")
else:
imol = active_atom[0]
chain_id = active_atom[1]
res_no = active_atom[2]
ins_code = active_atom[3]
atom_name = active_atom[4]
alt_conf = active_atom[5]
coot.fill_partial_residue(imol, chain_id, res_no, ins_code)
add_key_binding("Fill Partial", "k", lambda: key_binding_func_2())
def delete_residue_sidechain_key():
with coot_utils.UsingActiveAtom() as [aa_imol, aa_chain_id, aa_res_no,
aa_ins_code, aa_atom_name, aa_alt_conf]:
coot.delete_residue_sidechain(aa_imol, aa_chain_id, aa_res_no,
aa_ins_code, 0)
add_key_binding("Delete Residue Sidechain", "K",
lambda: delete_residue_sidechain_key())
def rotamer_dialog_for_ar():
with coot_utils.UsingActiveAtom() as [aa_imol, aa_chain_id, aa_res_no,
aa_ins_code, aa_atom_name, aa_alt_conf]:
coot.show_rotamers_dialog(aa_imol, aa_chain_id, aa_res_no,
aa_ins_code, aa_alt_conf)
add_key_binding("Rotamers dialog for Active Residue", "Q",
lambda: rotamer_dialog_for_ar())
def key_binding_func_5():
active_atom = active_residue()
if (not active_atom):
coot.add_status_bar_text("No active residue")
else:
imol = active_atom[0]
chain_id = active_atom[1]
res_no = active_atom[2]
ins_code = active_atom[3]
atom_name = active_atom[4]
alt_conf = active_atom[5]
name = get_rotamer_name(imol, chain_id, res_no, ins_code)
if (not name):
coot.add_status_bar_text("No Name found")
else:
if (name == ""):
coot.add_status_bar_text("No name for this")
else:
coot.add_status_bar_text("Rotamer name: " + name)
add_key_binding("Rotamer name in Status Bar", "~", lambda: key_binding_func_5())
refine_residue_sphere_radius_key = 4.5 # Angstroms
add_key_binding("Refine residue in a sphere", "R",
lambda: fitting.sphere_refine(refine_residue_sphere_radius_key))
def key_binding_func_21():
if not coot_utils.valid_map_molecule_qm(coot.imol_refinement_map()):
coot.info_dialog("Must set the refinement map")
else:
# not using active atom
active_atom = active_residue()
if (not active_atom):
coot.add_status_bar_text("No active residue")
else:
imol = active_atom[0]
chain_id = active_atom[1]
res_no = active_atom[2]
ins_code = active_atom[3]
atom_name = active_atom[4]
alt_conf = active_atom[5]
rc_spec = [chain_id, res_no, ins_code]
ls = coot.residues_near_residue_py(imol, rc_spec, 1.9)
coot_utils.with_auto_accept([refine_residues, imol, [rc_spec] + ls])
add_key_binding("Neighbours Refine", "h", lambda: key_binding_func_21())
add_key_binding("Regularize Residues in sphere", "B",
lambda: fitting.sphere_regularize(refine_residue_sphere_radius_key))
def edit_chi_angles_key_func():
with coot_utils.UsingActiveAtom() as [aa_imol, aa_chain_id, aa_res_no,
aa_ins_code, aa_atom_name, aa_alt_conf]:
coot.edit_chi_angles(aa_imol, aa_chain_id, aa_res_no,
aa_ins_code, aa_alt_conf)
coot.set_moving_atom_move_chis()
coot.set_graphics_edit_current_chi(1)
add_key_binding("Edit Chi Angles", "X", lambda: edit_chi_angles_key_func())
# BL says:: I like to keep edit chi, so use "Y" for something potentially
# more useful (according to Paule)
add_key_binding("Just One or Next Map", "Y", lambda: coot_utils.just_one_or_next_map())
def jiggle_fit_residue_key():
with coot_utils.UsingActiveAtom() as [aa_imol, aa_chain_id, aa_res_no,
aa_ins_code, aa_atom_name, aa_alt_conf]:
coot.fit_to_map_by_random_jiggle(aa_imol, aa_chain_id, aa_res_no,
aa_ins_code, 100, 1.0)
add_key_binding("Jiggle Fit Residue", "J", lambda: jiggle_fit_residue_key())
def step_scrollable_map_number():
maps = coot_utils.map_molecule_list()
current = coot.scroll_wheel_map()
if maps:
l = maps.index(current)
if (l == len(maps) - 1):
new = maps[0]
else:
new = maps[l+1]
coot.set_scroll_wheel_map(new)
add_key_binding("Step scrollable map number", "M",
lambda: step_scrollable_map_number())
def delete_residue_hydrogens_key():
with coot_utils.UsingActiveAtom() as [aa_imol, aa_chain_id, aa_res_no,
aa_ins_code, aa_atom_name, aa_alt_conf]:
coot.delete_residue_hydrogens(aa_imol, aa_chain_id, aa_res_no,
aa_ins_code, aa_alt_conf)
add_key_binding("Delete Residue Hydrogens", "P",
lambda: delete_residue_hydrogens_key())
def key_binding_func_9():
with coot_utils.UsingActiveAtom() as [aa_imol, aa_chain_id, aa_res_no,
aa_ins_code, aa_atom_name, aa_alt_conf]:
coot.additional_representation_by_attributes(aa_imol, aa_chain_id,
aa_res_no, aa_res_no, aa_ins_code,
2, 2, 0.15, 1)
add_key_binding("ball-and-stickify residue", "$", lambda: key_binding_func_9())
add_key_binding("Undo Symmetry View", "V", lambda: coot.undo_symmetry_view())
add_key_binding("Accept Baton Position", "A", lambda: coot.accept_baton_position())
add_key_binding("Cootilus here", "N", lambda: coot.find_nucleic_acids_local(6.0))
def jed_flip_key_func(dir):
status = coot.jed_flip_intermediate_atoms()
if status == 0:
active_atom = active_residue()
if (not active_atom):
print("No active atom")
else:
imol = active_atom[0]
chain_id = active_atom[1]
res_no = active_atom[2]
ins_code = active_atom[3]
atom_name = active_atom[4]
alt_conf = active_atom[5]
coot.jed_flip(imol, chain_id, res_no, ins_code, atom_name, alt_conf, dir)
add_key_binding("JED-Flip", "F", lambda: jed_flip_key_func(0))
add_key_binding("Reverse JED-Flip", "G", lambda: jed_flip_key_func(1))
# Paul's not sure about this one. I likey!
# coot_utils.add_key_binding("Delete this water", "D", lambda: coot.delete_atom(*active_residue()))
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