diff --git a/modules/bindings/pymod/CMakeLists.txt b/modules/bindings/pymod/CMakeLists.txt index 52c855f25e792401fde6f6befa48ca443009f91f..afd8a72a912e8cf65481bd0945b28eee34877917 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 673f1b78a8fcee8cd85c7a244a25f9b18c4c98a5..d5c9f570d3a6abbaef00e2f8d1070727349b28f9 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)