Added a python module for structure analysis

and a function GetFrameFromEntity

modules/mol/alg/pymod/CMakeLists.txt

@@ -11,6 +11,7 @@ set(OST_MOL_ALG_PYMOD_MODULES
   views.py
   superpose.py
   trajectory_analysis.py
+  structure_analysis.py
 )
 
 if (ENABLE_IMG)

modules/mol/alg/pymod/__init__.py

 from _ost_mol_alg import *
 from ost.mol.alg.superpose import *
 import ost.mol.alg.trajectory_analysis
+import ost.mol.alg.structure_analysis

modules/mol/alg/pymod/structure_analysis.py

+"""
+Some functions for analyzing trajectories
+
+Author: Niklaus Johner
+"""
+
+import os
+import ost
+
+def GetFrameFromEntity(eh):
+  """
+  This function returns a CoordFrame from an EntityHandle
+  Input:
+    eh : EntityHandle
+  """
+  return ost.mol.CreateCoordFrame(eh.GetAtomPosList())
+