r6729 - /branches/rdc_analysis/generic_fns/structure/internal.py -- July 05, 2008 - 11:49

Author: bugman
Date: Sat Jul  5 11:48:58 2008
New Revision: 6729

URL: http://svn.gna.org/viewcvs/relax?rev=6729&view=rev
Log:
The TER record is now automatically created after any ATOM or HETATM stretch.


Modified:
    branches/rdc_analysis/generic_fns/structure/internal.py

Modified: branches/rdc_analysis/generic_fns/structure/internal.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/rdc_analysis/generic_fns/structure/internal.py?rev=6729&r1=6728&r2=6729&view=diff
==============================================================================
--- branches/rdc_analysis/generic_fns/structure/internal.py (original)
+++ branches/rdc_analysis/generic_fns/structure/internal.py Sat Jul  5 
11:48:58 2008
@@ -927,10 +927,9 @@
                     file.write("%-6s%5s %4s%1s%3s %1s%4s%1s   
%8.3f%8.3f%8.3f%6.2f%6.2f      %4s%2s%2s\n" % ('HETATM', atom_num, atom_name, 
'', res_name, chain_id, res_num, '', x, y, z, 1.0, 0, seg_id, element, ''))
                     num_hetatm = num_hetatm + 1
 
-                # Write the TER record.
-                if struct.pdb_record[i] == 'TER':
-                    file.write("%-6s%5s      %3s %1s%4s%1s\n" % ('TER', 
atom_num, res_name, chain_id, res_num, ''))
-                    num_ter = num_ter + 1
+            # Finish off with the TER record.
+            file.write("%-6s%5s      %3s %1s%4s%1s\n" % ('TER', atom_num+1, 
res_name, chain_id, res_num, ''))
+            num_ter = num_ter + 1
 
 
             # ENDMDL record, for multiple structures.