r24381 - /trunk/lib/structure/internal/object.py -- July 01, 2014 - 17:08

Author: bugman
Date: Tue Jul  1 17:08:16 2014
New Revision: 24381

URL: http://svn.gna.org/viewcvs/relax?rev=24381&view=rev
Log:
Expansion of the REMARK section of the PDB file created for the internal 
structural object.

This is visible when using the structure.write_pdb user function, as well as 
the many other user
functions which create PDB files.  The relax version as well as the file 
creation date are now
recorded in the PDB file.  This extra information should be very useful.  
Empty lines in the REMARK
section improve the formatting.


Modified:
    trunk/lib/structure/internal/object.py

Modified: trunk/lib/structure/internal/object.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/lib/structure/internal/object.py?rev=24381&r1=24380&r2=24381&view=diff
==============================================================================
--- trunk/lib/structure/internal/object.py      (original)
+++ trunk/lib/structure/internal/object.py      Tue Jul  1 17:08:16 2014
@@ -29,6 +29,7 @@
 from os import F_OK, access, curdir, sep
 from os.path import abspath
 from re import search
+from time import asctime
 from warnings import warn
 
 # relax module imports.
@@ -43,6 +44,7 @@
 from lib.structure.internal.molecules import MolContainer
 from lib.warnings import RelaxWarning
 from lib.xml import object_to_xml, xml_to_object
+from version import version_full
 
 
 # Module variables.
@@ -2454,7 +2456,11 @@
         # Write some initial remarks.
         print("REMARK")
         pdb_write.remark(file, num=4, remark="This file complies with format 
v. 3.30, Jul-2011.")
-        pdb_write.remark(file, num=40, remark="Created by relax 
(http://www.nmr-relax.com).")
+        pdb_write.remark(file, num=40, remark=None)
+        pdb_write.remark(file, num=40, remark="Created using relax 
(http://www.nmr-relax.com).")
+        pdb_write.remark(file, num=40, remark=None)
+        pdb_write.remark(file, num=40, remark="relax version %s." % 
version_full())
+        pdb_write.remark(file, num=40, remark="Created on %s." % asctime())
         num_remark = 2
 
         # Determine if model records will be created.