r18352 - /trunk/generic_fns/structure/internal.py -- February 01, 2013 - 15:37

Author: bugman
Date: Fri Feb  1 15:37:30 2013
New Revision: 18352

URL: http://svn.gna.org/viewcvs/relax?rev=18352&view=rev
Log:
Fix for the checking of the alternate location indicator in the internal PDB 
reader.

These checks now only occur for the ATOM and HETATM records.


Modified:
    trunk/generic_fns/structure/internal.py

Modified: trunk/generic_fns/structure/internal.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/generic_fns/structure/internal.py?rev=18352&r1=18351&r2=18352&view=diff
==============================================================================
--- trunk/generic_fns/structure/internal.py (original)
+++ trunk/generic_fns/structure/internal.py Fri Feb  1 15:37:30 2013
@@ -2096,18 +2096,19 @@
             if not record:
                 continue
 
-            # Handle the alternate locations.
-            if record[3] != None:
-                # Don't know what to do.
-                if alt_loc == None:
-                    raise RelaxError("Multiple alternate location indicators 
are present in the PDB file, but the desired coordinate set has not been 
specified.")
-
-                # Skip non-matching locations.
-                if record[3] != alt_loc:
-                    continue
-
             # Add the atom.
             if record[0] == 'ATOM' or record[0] == 'HETATM':
+                # Handle the alternate locations.
+                if record[3] != None:
+                    print record
+                    # Don't know what to do.
+                    if alt_loc == None:
+                        raise RelaxError("Multiple alternate location 
indicators are present in the PDB file, but the desired coordinate set has 
not been specified.")
+
+                    # Skip non-matching locations.
+                    if record[3] != alt_loc:
+                        continue
+
                 # Attempt at determining the element, if missing.
                 element = record[14]
                 if not element: