''' Isocontour slider ("density slider") plugin for PyMOL See also this similar plugin: http://www.ebi.ac.uk/~gareth/pymol/downloads/scripts/density_slider.py (c) 2013 Thomas Holder License: BSD-2-Clause ''' from __future__ import print_function try: import Tkinter except ImportError: import tkinter as Tkinter from pymol import cmd, plugins DIGITS = 1 DELTA = 10 ** (-DIGITS) def __init_plugin__(self=None): plugins.addmenuitem('Isocontour Slider', isoslider) def get_isoobjects(state=1, quiet=1): ''' Get a list of (name, isolevel) tuples for all isomesh and isosurface objects. ''' state, quiet = int(state), int(quiet) r = [] for name in cmd.get_names(): t = cmd.get_type(name) if t in ('object:mesh', 'object:surface'): level = cmd.isolevel(name, 0, state, 1) if not quiet: print('%-20s %5.2f' % (name, level)) r.append((name, level)) return r class LevelVar(Tkinter.Variable): ''' Tk variable that is bound to an isocontour object ''' def __init__(self, master, name, level): Tkinter.Variable.__init__(self, master, value=level) self.name = name self.trace('w', self.callback) def callback(self, *args): cmd.isolevel(self.name, self.get()) def increment(self, event=None, delta=DELTA): self.set(round(float(self.get()) + delta, 2)) def decrement(self, event=None): self.increment(None, -DELTA) def bindscrollwheel(self, element): element.bind('', self.increment) element.bind('', self.decrement) def isoslider(mm=5.0): ''' DESCRIPTION Opens a dialog with isolevel sliders for all isomesh and isosurface objects in PyMOL. ''' top = Tkinter.Toplevel(plugins.get_tk_root()) master = Tkinter.Frame(top, padx=5, pady=5) master.pack(fill="both", expand=1) mmvar = Tkinter.DoubleVar(top, value=mm) def fillmaster(): ffmt = '%.' + str(DIGITS) + 'f' for child in list(master.children.values()): child.destroy() mm = mmvar.get() mmf = Tkinter.Frame(master) Tkinter.Label(mmf, text=ffmt % (-mm)).grid(row=0, column=0, sticky='w') Tkinter.Label(mmf, text=ffmt % (0.)).grid(row=0, column=1) Tkinter.Label(mmf, text=ffmt % (mm)).grid(row=0, column=2, sticky='e') mmf.grid(row=0, column=1, sticky='ew') mmf.columnconfigure(1, weight=1) for i, (name, level) in enumerate(get_isoobjects(), 1): v = LevelVar(master, name, ffmt % level) Tkinter.Label(master, text=name).grid(row=i, column=0, sticky="w") e = Tkinter.Scale(master, orient=Tkinter.HORIZONTAL, from_=-mm, to=mm, resolution=DELTA, showvalue=0, variable=v) e.grid(row=i, column=1, sticky="ew") v.bindscrollwheel(e) e = Tkinter.Entry(master, textvariable=v, width=4) e.grid(row=i, column=2, sticky="e") v.bindscrollwheel(e) master.columnconfigure(1, weight=1) fillmaster() bottom = Tkinter.Frame(top, padx=5) Tkinter.Label(bottom, text="+/-").pack(side=Tkinter.LEFT) mmentry = Tkinter.Entry(bottom, textvariable=mmvar, width=4) mmentry.pack(side=Tkinter.LEFT) refresh = Tkinter.Button(bottom, text="Refresh", command=fillmaster) refresh.pack(side=Tkinter.LEFT) bottom.pack(side=Tkinter.BOTTOM, fill="x", expand=1) cmd.extend('isoslider', isoslider)