From 398ec7f1529d8cef2612aa056e46f4a106d34eed Mon Sep 17 00:00:00 2001
From: Gabriel Studer <gabriel.studer@stud.unibas.ch>
Date: Mon, 4 Apr 2011 10:33:07 +0200
Subject: [PATCH] fix naccess binding when chain name is empty
---
modules/bindings/pymod/naccess.py | 7 +++++--
1 file changed, 5 insertions(+), 2 deletions(-)
diff --git a/modules/bindings/pymod/naccess.py b/modules/bindings/pymod/naccess.py
index f18d8e9a6..afb58c4ba 100644
--- a/modules/bindings/pymod/naccess.py
+++ b/modules/bindings/pymod/naccess.py
@@ -75,7 +75,7 @@ def _ParseAsaFile(entity, file, asa_atom):
res_number = l[22:27]
asa = l[54:63]
atom_name = atom_name.strip()
- chain_id = chain_id.strip()
+ chain_id = chain_id
res_number = res_number.strip()
asa = asa.strip()
#print "res_number:", res_number
@@ -88,7 +88,10 @@ def _ParseAsaFile(entity, file, asa_atom):
resNum = mol.ResNum(int(di["num"]), di["ins"])
#print res_number, resNum.num, resNum.ins
a = entity.FindAtom(chain_id, resNum, atom_name)
- a.SetFloatProp(asa_atom, float(asa))
+ if(a.IsValid()):
+ a.SetFloatProp(asa_atom, float(asa))
+ else:
+ print chain_id, resNum, atom_name
## \brief Reads Area file (.rsa) and attach asa (absolute + relative) per residue to an entitiy
#
--
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