r5410 - /1.3/generic_fns/pymol.py -- April 08, 2008 - 10:55

Author: bugman
Date: Tue Apr  8 10:55:40 2008
New Revision: 5410

URL: http://svn.gna.org/viewcvs/relax?rev=5410&view=rev
Log:
Created the cone_pdb() function for displaying the N-state model cone object 
in PyMOL.


Modified:
    1.3/generic_fns/pymol.py

Modified: 1.3/generic_fns/pymol.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/generic_fns/pymol.py?rev=5410&r1=5409&r2=5410&view=diff
==============================================================================
--- 1.3/generic_fns/pymol.py (original)
+++ 1.3/generic_fns/pymol.py Tue Apr  8 10:55:40 2008
@@ -161,6 +161,60 @@
 
     # Pass the command to PyMOL.
     pymol.pipe_write(command)
+
+
+def cone_pdb(file=None):
+    """Display the N-state model cone geometric object.
+
+    @keyword file:  The name of the file containing the cone geometric 
object.
+    @type file:     str
+    """
+
+    # Test if the current data pipe exists.
+    if not relax_data_store.current_pipe:
+        raise RelaxNoPipeError
+
+    # The file root.
+    id = file_root(pdb_file)
+
+    # Read in the cone PDB file.
+    pymol.pipe_write("load " + id)
+
+
+    # Average CoM-pivot point vector.
+    #################################
+
+    # Select the AVE residue.
+    pymol.pipe_write("select resn AVE")
+
+    # Show the vector as a stick.
+    pymol.pipe_write("show stick, 'sele'")
+
+    # Colour it blue.
+    pymol.pipe_write("color blue, 'sele'")
+
+
+    # The cone object.
+    ##################
+
+    # Select the CON residue.
+    pymol.pipe_write("select resn CON")
+
+    # Hide everything.
+    pymol.pipe_write("hide ('sele')")
+
+    # Show as 'sticks'.
+    pymol.pipe_write("show sticks, 'sele'")
+
+    # Colour it white.
+    pymol.pipe_write("color white, 'sele'")
+
+
+    # Clean up.
+    ###########
+
+    # Remove the selection.
+    pymol.pipe_write("cmd.delete('sele')")
 
 
 def create_macro(data_type=None, style="classic", colour_start=None, 
colour_end=None, colour_list=None):