Simple Qt application embedding a PyMol instance.

main.py

#!/usr/bin/python
"""
PyMol Widget

Usage:
    main.py [input_files]

Options:
    -h, --help: print this screen
"""
from pymolwidget import PyMolWidget
from PyQt4 import QtGui, QtCore
import sys, getopt


class Usage(Exception):
    """
    """
    def __init__(self, msg):
        self.msg = msg


if __name__ == '__main__':
    argv = sys.argv
    app = QtGui.QApplication(argv)
    kinect_enabled = True
    try:
        try:
            opts, args = getopt.getopt(argv[1:], "h", ["help"])
        except getopt.error, msg:
            raise Usage(msg)

        # process options
        for o, a in opts:
            if o in ("-h", "--help"):
                print __doc__
                sys.exit(0)
    
    except Usage, err:
        print >>sys.stderr, err.msg
        print >>sys.stderr, "for help use --help"
        sys.exit(2)

    # process args
    input_files = []
    if len(args):
        input_files = args[:]
  
    window = PyMolWidget()
    window.show()
    for f in input_files:
        window.loadMolFile(f)

    sys.exit(app.exec_())

pymolwidget.py

from PyQt4.QtOpenGL import *
from PyQt4 import QtCore
from PyQt4.Qt import Qt
from OpenGL.GL import *
import pymol2

buttonMap = {
    Qt.LeftButton:0,
    Qt.MidButton:1,
    Qt.RightButton:2,
}

class PyMolWidget(QGLWidget):
    def __init__(self, parent=None):
        self._enableUi = True
        f = QGLFormat()
        f.setStencil(True)
        f.setRgba(True)
        f.setDepth(True)
        f.setDoubleBuffer(True)
        super(PyMolWidget, self).__init__(f, parent)

    def initializeGL(self):
        """ 
        Reimplemented from QGLWidget
        
        Instance PyMOL _only_ when we're sure there's an OGL context up and running
        (i.e. in this method :-)
        """
        self._pymol = pymol2.PyMOL()
        self._pymol.start()
        
        if not self._enableUi:
            self._pymol.cmd.set("internal_gui", 0)
            self._pymol.cmd.set("internal_feedback", 0)
            self._pymol.cmd.button("double_left", "None", "None")
            self._pymol.cmd.button("single_right", "None", "None")

        self._pymol.reshape(self.width(), self.height())
        self.resizeGL(self.width(), self.height())
        self._pymolProcess()

    def paintGL(self):
        glViewport(0, 0, self.width(), self.height())
        self._pymol.idle()
        self._pymol.draw()

    def resizeGL(self, w, h):
        self._pymol.reshape(w, h, True)
        self._pymolProcess()

    def loadMolFile(self, mol_file):
        self._pymol.cmd.load(str(mol_file))


    def _pymolProcess(self):
        self._pymol.idle()
        self.update()

    def mouseMoveEvent(self, ev):
        self._pymol.drag(ev.x(), self.height() - ev.y(), 0)
        self._pymolProcess()

    def mousePressEvent(self, ev):
        if not self._enableUi:
            self._pymol.cmd.button("double_left", "None", "None")
            self._pymol.cmd.button("single_right", "None", "None")
        self._pymol.button(buttonMap[ev.button()], 0, ev.x(), self.height() - ev.y(), 0)
        self._pymolProcess()

    def mouseReleaseEvent(self, ev):
        self._pymol.button(buttonMap[ev.button()], 1, ev.x(), self.height() - ev.y(), 0)
        self._pymolProcess()

    def wheelEvent(self, ev):
        button = 3 if ev.delta() > 0 else 4
        self._pymol.button(button, 0, ev.x(), ev.y(), 0)
        self._pymolProcess()