Extended documentation of DSSP bindings

examples/dssp_sa.py

+from ost.bindings import dssp
+ent=io.LoadMMCIF('1ake.cif')
+dssp.AssignDSSP(ent, extract_burial_status=True)
+for chain in ent.chains:
+  if chain.is_polypeptide:
+    for res in chain.residues:
+      print res.GetFloatProp('relative_solvent_accessibility')

modules/bindings/doc/dssp.rst

@@ -2,19 +2,22 @@
 ================================================================================
 
 .. module:: ost.bindings.dssp
-  :synopsis: Interface to the DSSP commandline utility
+  :synopsis: Interface to the DSSP command line utility
 
 Introduction
 --------------------------------------------------------------------------------
 
-DSSP is a program developed by Wolfgang Kabsch and Chris Sander to assign secondary structure states to protein structures. The assignment is based on hydrogen bonding patterns and geometric features.
+DSSP is a program developed by Wolfgang Kabsch and Chris Sander to assign
+secondary structure states to protein structures. The assignment is based on
+hydrogen bonding patterns and geometric features.
 
 The program can be downloaded from `<http://swift.cmbi.ru.nl/gv/dssp/>`_.
 
-Example
+Examples
 --------------------------------------------------------------------------------
 
-The following example assigns secondary structure states to an entity by using the DSSP program.
+The following example assigns secondary structure states to an entity by using
+the DSSP program.
 
 
 .. code-block:: python
@@ -23,9 +26,27 @@ The following example assigns secondary structure states to an entity by using t
   ent=io.LoadPDB('1ake.pdb')
   dssp.AssignDSSP(ent)
 
+
+Now we fetch structure information plus solvent accessibility for an entity
+using the mmCIF interface.
+
+
+.. code-block:: python
+
+  from ost.bindings import dssp
+  ent=io.LoadMMCIF('1ake.cif')
+  dssp.AssignDSSP(ent, extract_burial_status=True)
+  for chain in ent.chains:
+    if chain.is_polypeptide:
+      for res in chain.residues:
+        print res.GetFloatProp('relative_solvent_accessibility')
+
+
 DSSP bindings Usage
 --------------------------------------------------------------------------------
 
 .. autofunction:: ost.bindings.dssp.AssignDSSP
 
 .. autofunction:: ost.bindings.dssp.LoadDSSP
+
+..  LocalWords:  dssp AssignDSSP ent GetFloatProp autofunction

modules/bindings/pymod/dssp.py

@@ -88,7 +88,10 @@ def AssignDSSP(ent, pdb_path="", extract_burial_status=False, tmp_dir=None,
   
   :param ent: The entity for which the secondary structure should be calculated
   :type ent: :class:`~ost.mol.EntityHandle` or :class:`~ost.mol.EntityView`
-  :param extract_burial_status: If true, also extract burial status
+  :param extract_burial_status: If true, also extract burial status and store
+                                as float-property
+                                ``relative_solvent_accessibility`` at residue
+                                level
   :param tmp_dir: If set, overrides the default tmp directory of the
                   operating system
   :param dssp_bin: The path to the DSSP executable