def simple(selection="(all)", _self=cmd): cmd = _self s = tmp_sele cmd.select(s, selection) _prepare(s, _self=cmd) util.cbc(s, _self=cmd) cmd.show("ribbon", s) cmd.show( "lines", "(byres ((" + s + " & r. CYS+CYX & n. SG) & bound_to (" + s + " & r. CYS+CYX & n. SG))) & n. CA+CB+SG") # try to show what covalent ligands are connected to... cmd.show("sticks", "(" + lig_sele + " and (" + s + ")) extend 2") cmd.show( "sticks", "byres ((" + lig_sele + " and (" + s + ") and not resn ACE+NAC+NME+NH2) extend 1)") cmd.hide("sticks", "(" + s + ") and ((not rep sticks) extend 1)") cmd.show("sticks", "(" + lig_sele + " and (" + s + ")) extend 2") # color by atom if lines or sticks are shown util.cnc("(( rep lines or rep sticks or (" + lig_and_solv_sele + ")) and (" + s + "))", _self=cmd) cmd.show("nonbonded", "(" + lig_and_solv_sele + " and (" + s + "))") cmd.show("lines", "(" + lig_and_solv_sele + " and (" + s + "))") if cmd.count_atoms(s): cmd.zoom(s) cmd.delete(s)
def default(selection="(all)",_self=cmd): cmd=_self s = tmp_sele cmd.select(s,selection) _prepare(s,_self=cmd) cmd.show("lines",s) cmd.show("nonbonded",s) color=cmd.get_object_color_index(selection) if color<0: util.cbag(selection,_self=cmd) else: util.cnc(selection,_self=cmd) cmd.color(str(color),"("+s+") and elem c")
def default(selection="(all)", _self=cmd): cmd = _self s = tmp_sele cmd.select(s, selection) _prepare(s, _self=cmd) cmd.show("lines", s) cmd.show("nonbonded", s) color = cmd.get_object_color_index(selection) if color < 0: util.cbag(selection, _self=cmd) else: util.cnc(selection, _self=cmd) cmd.color(str(color), "(" + s + ") and elem c")
def simple(selection="(all)",_self=cmd): cmd=_self s = tmp_sele cmd.select(s,selection) _prepare(s,_self=cmd) util.cbc(s,_self=cmd) cmd.show("ribbon",s) cmd.show("lines","(byres (("+s+" & r. CYS+CYX & n. SG) & bound_to ("+s+" & r. CYS+CYX & n. SG))) & n. CA+CB+SG") # try to show what covalent ligands are connected to... cmd.show("sticks","("+lig_sele+" and ("+s+")) extend 2") cmd.show("sticks","byres (("+lig_sele+" and ("+s+") and not resn ACE+NAC+NME+NH2) extend 1)") cmd.hide("sticks","("+s+") and ((not rep sticks) extend 1)") cmd.show("sticks","("+lig_sele+" and ("+s+")) extend 2") # color by atom if lines or sticks are shown util.cnc("(( rep lines or rep sticks or ("+lig_and_solv_sele+")) and ("+s+"))",_self=cmd) cmd.show("nonbonded","("+lig_and_solv_sele+" and ("+s+"))") cmd.show("lines","("+lig_and_solv_sele+" and ("+s+"))") if cmd.count_atoms(s): cmd.zoom(s) cmd.delete(s)