r8221 - /branches/multi_structure/generic_fns/structure/main.py -- December 18, 2008 - 15:41

Author: bugman
Date: Thu Dec 18 15:41:53 2008
New Revision: 8221

URL: http://svn.gna.org/viewcvs/relax?rev=8221&view=rev
Log:
Passed the new args into generic_fns.structure.main.read_pdb().


Modified:
    branches/multi_structure/generic_fns/structure/main.py

Modified: branches/multi_structure/generic_fns/structure/main.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/multi_structure/generic_fns/structure/main.py?rev=8221&r1=8220&r2=8221&view=diff
==============================================================================
--- branches/multi_structure/generic_fns/structure/main.py (original)
+++ branches/multi_structure/generic_fns/structure/main.py Thu Dec 18 
15:41:53 2008
@@ -157,7 +157,7 @@
         spin_cont.element = element
 
 
-def read_pdb(file=None, dir=None, model=None, parser='scientific', 
fail=True, verbosity=1):
+def read_pdb(file=None, dir=None, read_mol=None, set_mol_name=None, 
read_model=None, set_model_num=None, parser='internal', verbosity=1, 
fail=True):
     """The PDB loading function.
 
     Parsers
@@ -174,9 +174,21 @@
     @keyword dir:           The directory where the PDB file is located.  If 
set to None, then the
                             file will be searched for in the current 
directory.
     @type dir:              str or None
-    @keyword model:         The PDB model to extract from the file.  If set 
to None, then all models
+    @keyword read_mol:      The molecule(s) to read from the file, 
independent of model.  The
+                            molecules are determined differently by the 
different parsers, but are
+                            numbered consecutively from 1.  If set to None, 
then all molecules will
+                            be loaded.
+    @type read_mol:         None, int, or list of int
+    @keyword set_mol_name:  Set the names of the molecules which are loaded. 
 If set to None, then
+                            the molecules will be automatically labelled 
based on the file name or
+                            other information.
+    @type set_mol_name:     None, str, or list of str
+    @keyword read_model:    The PDB model to extract from the file.  If set 
to None, then all models
                             will be loaded.
-    @type model:            int or None
+    @type read_model:       None, int, or list of int
+    @keyword set_model_num: Set the model number of the loaded molecule.  If 
set to None, then the
+                            PDB model numbers will be preserved, if they 
exist.
+    @type set_model_num:    None, int, or list of int
     @keyword parser:        The parser to be used to read the PDB file.
     @type parser:           str
     @keyword fail:          A flag which, if True, will cause a RelaxError 
to be raised if the PDB