From 753d4ebb9e1bcf0123ce9f114357aa36373215c3 Mon Sep 17 00:00:00 2001
From: Martino Bertoni <martino.bertoni@unibas.ch>
Date: Sat, 17 May 2014 09:52:59 +0200
Subject: [PATCH] fixed iAlign binding
---
modules/bindings/pymod/CMakeLists.txt | 1 +
modules/bindings/pymod/ialign.py | 6 +++++-
2 files changed, 6 insertions(+), 1 deletion(-)
diff --git a/modules/bindings/pymod/CMakeLists.txt b/modules/bindings/pymod/CMakeLists.txt
index 52c855f25..afd8a72a9 100644
--- a/modules/bindings/pymod/CMakeLists.txt
+++ b/modules/bindings/pymod/CMakeLists.txt
@@ -11,5 +11,6 @@ naccess.py
blast.py
cadscore.py
kclust.py
+ialign.py
)
pymod(NAME bindings PY ${OST_BINDINGS})
diff --git a/modules/bindings/pymod/ialign.py b/modules/bindings/pymod/ialign.py
index 673f1b78a..d5c9f570d 100644
--- a/modules/bindings/pymod/ialign.py
+++ b/modules/bindings/pymod/ialign.py
@@ -120,7 +120,9 @@ def _ParseiAlign(lines):
return iAlignResult(rmsd, tf, alignment, is_score, aln_residues, aln_contacts)
def _RuniAlign(ialign, tmp_dir, options={}):
- opts = {'a' : 1} # concise output
+ opts = {'a' : 1, # concise output
+ 'w' : tmp_dir
+ }
opts.update(options)
cmd_opts = []
for k, v in opts.iteritems():
@@ -143,6 +145,8 @@ def _RuniAlign(ialign, tmp_dir, options={}):
lines=ps.stdout.readlines()
if (len(lines))<22:
_CleanupFiles(tmp_dir)
+ #for l in lines:
+ # print l
raise RuntimeError("iAlign superposition failed")
return _ParseiAlign(lines)
--
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