From 531f73441ed0afb2c8b6457b24605362c5159ab3 Mon Sep 17 00:00:00 2001
From: Gabriel Studer <gabriel.studer@unibas.ch>
Date: Wed, 18 Sep 2019 18:13:46 +0200
Subject: [PATCH] add VINA to default ReconstructSidechains function

---
 modelling/pymod/_reconstruct_sidechains.py | 7 ++++++-
 1 file changed, 6 insertions(+), 1 deletion(-)

diff --git a/modelling/pymod/_reconstruct_sidechains.py b/modelling/pymod/_reconstruct_sidechains.py
index 2586ac8f..9ae6bb43 100644
--- a/modelling/pymod/_reconstruct_sidechains.py
+++ b/modelling/pymod/_reconstruct_sidechains.py
@@ -471,8 +471,13 @@ def ReconstructSidechains(ent, keep_sidechains=False, build_disulfids=True,
 
     if energy_function == "SCWRL4":
         rotamer_constructor = sidechain.SCWRL4RotamerConstructor(False)
-    if energy_function == "SCWRL3":
+    elif energy_function == "SCWRL3":
         rotamer_constructor = sidechain.SCWRL3RotamerConstructor(False)
+    elif energy_function == "VINA":
+        rotamer_constructor = sidechain.VINARotamerConstructor(False)
+    else:
+        raise RuntimeError("Only \"SCWRL4\", \"SCWRL3\" and \"VINA\" allowed "\
+                           "for energy_function")
 
     if rotamer_constructor == None:
         raise RuntimeError("Invalid Energy function to reconstruct sidechains!")
-- 
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