From ae4a7e865769d2843e56ae96215c869fd8ee5c4d Mon Sep 17 00:00:00 2001
From: Niklaus Johner <nij2003@med.cornell.edu>
Date: Thu, 17 May 2012 20:14:02 -0400
Subject: [PATCH] Added a python module for structure analysis and a function
 GetFrameFromEntity

---
 modules/mol/alg/pymod/CMakeLists.txt        |  1 +
 modules/mol/alg/pymod/__init__.py           |  1 +
 modules/mol/alg/pymod/structure_analysis.py | 17 +++++++++++++++++
 3 files changed, 19 insertions(+)
 create mode 100644 modules/mol/alg/pymod/structure_analysis.py

diff --git a/modules/mol/alg/pymod/CMakeLists.txt b/modules/mol/alg/pymod/CMakeLists.txt
index 0bfc29b0a..a6eb3685f 100644
--- a/modules/mol/alg/pymod/CMakeLists.txt
+++ b/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)
diff --git a/modules/mol/alg/pymod/__init__.py b/modules/mol/alg/pymod/__init__.py
index 11c4c0198..3a3312e8e 100644
--- a/modules/mol/alg/pymod/__init__.py
+++ b/modules/mol/alg/pymod/__init__.py
@@ -1,3 +1,4 @@
 from _ost_mol_alg import *
 from ost.mol.alg.superpose import *
 import ost.mol.alg.trajectory_analysis
+import ost.mol.alg.structure_analysis
diff --git a/modules/mol/alg/pymod/structure_analysis.py b/modules/mol/alg/pymod/structure_analysis.py
new file mode 100644
index 000000000..4b575466b
--- /dev/null
+++ b/modules/mol/alg/pymod/structure_analysis.py
@@ -0,0 +1,17 @@
+"""
+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())
+  
-- 
GitLab