Bernhards key bindings for coot.py: Difference between revisions

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Bernhards key bindings for coot.py (edit)

Revision as of 16:20, 23 June 2012

1,552 bytes added , 23 June 2012

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Bernhardcl

28

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@@ Line 3: / Line 3: @@
 add_key_binding("Refine Active Residue AA", "x", lambda: refine_active_residue())
 add_key_binding("Triple Refine", "t", lambda: manual_refine_residues(1))
-add_key_binding("Triple Refine AA", "h", lambda: refine_active_residue_triple())
 add_key_binding("Autofit Rotamer", "j", lambda: auto_fit_rotamer_active_residue())
 add_key_binding("Pepflip", "q", lambda: pepflip_active_residue())
@@ Line 37: / Line 36: @@
          fill_partial_residue(imol, chain_id, res_no, ins_code)
 add_key_binding("Fill Partial", "k", lambda: key_binding_func_2())
+add_key_binding("Kill Sidechain", "K", lambda:
+                using_active_atom(delete_residue_sidechain,
+                                  "aa_imol", "aa_chain_id", "aa_res_no", "aa_ins_code", 0))
+refine_residue_sphere_radius = 3.5  # Angstroms
+add_key_binding("Refine residue in a sphere", "R",
+                lambda: sphere_refine(refine_residue_sphere_radius))
+def key_binding_func_21():
+    if not valid_map_molecule_qm(imol_refinement_map()):
+        info_dialog("Must set the refinement map")
+    else:
+        # not using active atom
+        active_atom = active_residue()
+        if (not active_atom):
+            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 = residues_near_residue(imol, rc_spec, 1.9)
+            with_auto_accept([refine_residues, imol, [rc_spec] + ls])
+add_key_binding("Neighbours Refine", "h", lambda: key_binding_func_21())
 def key_binding_func_3():
@@ Line 63: / Line 91: @@
          set_draw_ncs_ghosts(keyboard_ghosts_mol, 0)
 add_key_binding("Toggle Ghosts", ":", lambda: key_binding_func_4())
-add_key_binding("Hydrogens off", "(", lambda: set_draw_hydrogens(0, 0))
-add_key_binding("Hydrogens on", ")", lambda: set_draw_hydrogens(0, 1))
+add_key_binding("Hydrogens off", "[", lambda: set_draw_hydrogens(0, 0))
+add_key_binding("Hydrogens on", "]", lambda: set_draw_hydrogens(0, 1))
 def key_binding_func_5():
@@ Line 88: / Line 117: @@
 def key_binding_func_6():
-    from types import ListType
      active_atom = active_residue()
      if (not active_atom):
@@ Line 99: / Line 127: @@
          atom_name = active_atom[4]
          alt_conf  = active_atom[5]
-         centred_residue = active_atom[1:4]
+         regularize_zone(imol, chain_id,
-        other_residues = residues_near_residue(imol, centred_residue, 3)
+                        res_no - 1, res_no + 1,
-        all_residues = [centred_residue]
+                        alt_conf)
-        if (type(other_residues) is ListType):
+add_key_binding("Regularize Residues", "B", lambda: key_binding_func_6())
-            all_residues += other_residues
-        print "imol: %s residues: %s" %(imol, all_residues)
+def key_binding_func_7():
-        refine_residues(imol, all_residues)
+    using_active_atom([[fit_to_map_by_random_jiggle,
+                        ["aa_imol", "aa_chain_id", "aa_res_no", "aa_ins_code"],
-add_key_binding("Refine residues in a sphere", "R", lambda: key_binding_func_6())
+                        [100, 1.0]]])
+add_key_binding("Jiggle Fit", "J", lambda: key_binding_func_7())
+add_key_binding("Delete this water", "D", lambda: delete_atom(*active_residue()))
+def key_binding_func_8():
+    using_active_atom(add_terminal_residue,
+                      "aa_imol", "aa_chain_id", "aa_res_no",
+                      "auto", 1)
+add_key_binding("Add Terminal Residue", "|", lambda: key_binding_func_8())
+add_key_binding("Accept Baton Position", "`", lambda: accept_baton_position())
+add_key_binding("Cootilus here", "N", lambda: find_nucleic_acids_local(6.0))
 </pre>