diff --git a/python/examples/pizza/vmd.py b/python/examples/pizza/vmd.py index 06212dc997..8b61ee2d81 100644 --- a/python/examples/pizza/vmd.py +++ b/python/examples/pizza/vmd.py @@ -1,13 +1,20 @@ +# Pizza.py toolkit, www.cs.sandia.gov/~sjplimp/pizza.html +# Steve Plimpton, sjplimp@sandia.gov, Sandia National Laboratories # -# Minimalistic VMD embedding for Pizza.py -# -# This class will replace the VMD startup script, -# open a pipe to the executable, and feed it Tcl -# command lines one at a time. -# -# (c) 2010 Axel Kohlmeyer +# Copyright (2005) Sandia Corporation. Under the terms of Contract +# DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains +# certain rights in this software. This software is distributed under +# the GNU General Public License. -oneline = "Control VMD from python." +# vmd tool + +# Minimalistic VMD embedding for Pizza.py +# (c) 2010 Axel Kohlmeyer +# This class will replace the VMD startup script, +# open a pipe to the executable, +# and feed it Tcl command lines one at a time + +oneline = "Control VMD from python" docstr = """ v = vmd() start up VMD @@ -30,6 +37,9 @@ v.enter() enter interactive shell v.debug([True|False]) display generated VMD script commands? """ +# History +# 11/10, Axel Kohlmeyer (Temple U): original version + # Imports and external programs import types, os @@ -46,8 +56,10 @@ except: PIZZA_VMDARCH = "LINUX" try: import pexpect except: - print "pexpect from http://pypi.python.org/pypi/pexpect/ is required for vmd module" + print "pexpect from http://pypi.python.org/pypi/pexpect", \ + "is required for vmd tool" raise + # Class definition class vmd: