r5400 - /1.3/prompt/pymol.py -- April 08, 2008 - 10:24

Author: bugman
Date: Tue Apr  8 10:24:30 2008
New Revision: 5400

URL: http://svn.gna.org/viewcvs/relax?rev=5400&view=rev
Log:
Created the user function pymol.cone_pdb() for displaying the N-state model 
cone geometric object.

This is just the front end.


Modified:
    1.3/prompt/pymol.py

Modified: 1.3/prompt/pymol.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/prompt/pymol.py?rev=5400&r1=5399&r2=5400&view=diff
==============================================================================
--- 1.3/prompt/pymol.py (original)
+++ 1.3/prompt/pymol.py Tue Apr  8 10:24:30 2008
@@ -128,6 +128,53 @@
         pymol.command(command=command)
 
 
+    def cone_pdb(self, file=None):
+        """Display, as designed, the cone PDB geometric object from the 
N-state model.
+
+        Keyword Arguments
+        ~~~~~~~~~~~~~~~~~
+
+        file:  The name of the PDB file containing the cone geometric object.
+
+
+        Description
+        ~~~~~~~~~~~
+
+        The PDB file containing the geometric object must be created using 
the complementary
+        'n_state_model.cone_pdb()' user function.
+
+        The cone PDB file is read in using the command:
+
+            load file
+
+        The average CoM-pivot point vector, the residue 'AVE' is displayed 
using the commands:
+
+            select resn AVE
+            show sticks, 'sele'
+            color blue, 'sele'
+
+        The cone object, the residue 'CON', is displayed using the commands:
+
+            select resn CON
+            hide ('sele')
+            show sticks, 'sele'
+            color white, 'sele'
+        """
+
+        # Function intro text.
+        if self.__relax__.interpreter.intro:
+            text = sys.ps3 + "pymol.cone_pdb("
+            text = text + "file=" + `file` + ")"
+            print text
+
+        # The file name.
+        if type(file) != str:
+            raise RelaxStrError, ('file name', file)
+
+        # Execute the functional code.
+        pymol.cone_pdb(file=file)
+
+
     def macro_exec(self, data_type=None, style="classic", colour_start=None, 
colour_end=None, colour_list=None):
         """Function for executing PyMOL macros.