mailr2593 - /1.2/generic_fns/pdb.py


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Posted by edward on October 01, 2006 - 06:39:
Author: bugman
Date: Sun Oct  1 06:38:42 2006
New Revision: 2593

URL: http://svn.gna.org/viewcvs/relax?rev=2593&view=rev
Log:
Fix for bug #7241 (https://gna.org/bugs/?7241).

This is fix for the changes made at r2591 which were an attempt to fix the 
bug.  Those changes did
not work though as the Scientific PDB data structure always contains the 
objects 'peptide_chains'
and 'nucleotide_chains'.  Therefore these are now tested to see if they are 
empty rather than if
they exist.

The algorithm remains the same as in r2591, peptide chains are searched for 
and used first, then
nucleotide chains are searched for, and if neither are present 
RelaxNoPdbChainError is raised.


Modified:
    1.2/generic_fns/pdb.py

Modified: 1.2/generic_fns/pdb.py
URL: 
http://svn.gna.org/viewcvs/relax/1.2/generic_fns/pdb.py?rev=2593&r1=2592&r2=2593&view=diff
==============================================================================
--- 1.2/generic_fns/pdb.py (original)
+++ 1.2/generic_fns/pdb.py Sun Oct  1 06:38:42 2006
@@ -226,9 +226,9 @@
                 print "\nStructure " + `i + 1` + "\n"
 
             # Reassign the first peptide or nucleotide chain of the first 
structure.
-            if hasattr(self.relax.data.pdb[self.run].structures[i], 
'peptide_chains'):
+            if self.relax.data.pdb[self.run].structures[i].peptide_chains:
                 pdb_residues = 
self.relax.data.pdb[self.run].structures[i].peptide_chains[0].residues
-            elif hasattr(self.relax.data.pdb[self.run].structures[i], 
'nucleotide_chains'):
+            elif 
self.relax.data.pdb[self.run].structures[i].nucleotide_chains:
                 pdb_residues = 
self.relax.data.pdb[self.run].structures[i].nucleotide_chains[0].residues
             else:
                 raise RelaxNoPdbChainError




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