Source Code for Module pipe_control.vmd

 1  ############################################################################### 
 2  #                                                                             # 
 3  # Copyright (C) 2003-2013 Edward d'Auvergne                                   # 
 4  #                                                                             # 
 5  # This file is part of the program relax (http://www.nmr-relax.com).          # 
 6  #                                                                             # 
 7  # This program 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 3 of the License, or           # 
10  # (at your option) any later version.                                         # 
11  #                                                                             # 
12  # This program 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           # 
18  # along with this program.  If not, see <http://www.gnu.org/licenses/>.       # 
19  #                                                                             # 
20  ############################################################################### 
21   
22  # Module docstring. 
23  """Module for interfacing with VMD.""" 
24   
25  # relax module imports. 
26  import dep_check 
27  from lib.errors import RelaxError, RelaxNoPdbError 
28   
29   
30 -def view(): 
31      """Function for viewing the collection of molecules using VMD.""" 
32   
33      # Test if the module is available. 
34      if not dep_check.vmd_module: 
35          raise RelaxError("VMD is not available (cannot import Scientific.Visualization.VMD due to missing Numeric dependency).") 
36   
37      # Test if the PDB file has been loaded. 
38      if not hasattr(cdp, 'structure'): 
39          raise RelaxNoPdbError 
40   
41      # Create an empty scene. 
42      cdp.vmd_scene = VMD.Scene() 
43   
44      # Add the molecules to the scene. 
45      for i in range(len(cdp.structure.structures)): 
46          cdp.vmd_scene.addObject(VMD.Molecules(cdp.structure.structures[i])) 
47   
48      # View the scene. 
49      cdp.vmd_scene.view() 
50