Source Code for Module generic_fns.vmd

 1  ############################################################################### 
 2  #                                                                             # 
 3  # Copyright (C) 2003-2004, 2007-2009 Edward d'Auvergne                        # 
 4  #                                                                             # 
 5  # This file is part of the program relax.                                     # 
 6  #                                                                             # 
 7  # relax is free software; you can redistribute it and/or modify               # 
 8  # it under the terms of the GNU General Public License as published by        # 
 9  # the Free Software Foundation; either version 2 of the License, or           # 
10  # (at your option) any later version.                                         # 
11  #                                                                             # 
12  # relax is distributed in the hope that it will be useful,                    # 
13  # but WITHOUT ANY WARRANTY; without even the implied warranty of              # 
14  # MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the               # 
15  # GNU General Public License for more details.                                # 
16  #                                                                             # 
17  # You should have received a copy of the GNU General Public License           # 
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19  # Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA  02111-1307  USA   # 
20  #                                                                             # 
21  ############################################################################### 
22   
23  # Module docstring. 
24  """Module for interfacing with VMD.""" 
25   
26  # relax module imports. 
27  import dep_check 
28  from relax_errors import RelaxError, RelaxNoPdbError 
29   
30   
31 -def view(): 
32      """Function for viewing the collection of molecules using VMD.""" 
33   
34      # Test if the module is available. 
35      if not dep_check.vmd_module: 
36          raise RelaxError("VMD is not available (cannot import Scientific.Visualization.VMD due to missing Numeric dependency).") 
37   
38      # Test if the PDB file has been loaded. 
39      if not hasattr(cdp, 'structure'): 
40          raise RelaxNoPdbError 
41   
42      # Create an empty scene. 
43      cdp.vmd_scene = VMD.Scene() 
44   
45      # Add the molecules to the scene. 
46      for i in xrange(len(cdp.structure.structures)): 
47          cdp.vmd_scene.addObject(VMD.Molecules(cdp.structure.structures[i])) 
48   
49      # View the scene. 
50      cdp.vmd_scene.view() 
51