diff --git a/modules/bindings/pymod/hhblits.py b/modules/bindings/pymod/hhblits.py index e8db627adf6594744d4ffef6abf582b2a0f2f05f..d7501ecd8a712266636d345e4c273b78093089d4 100644 --- a/modules/bindings/pymod/hhblits.py +++ b/modules/bindings/pymod/hhblits.py @@ -593,10 +593,24 @@ class HHblits: if not os.path.exists(a3m_file): raise RuntimeError('Building query profile failed, no output') - if not assign_ss: + if assign_ss: + return self.AssignSSToA3M(a3m_file) + else: return a3m_file - # add secondary structure annotation + def AssignSSToA3M(self, a3m_file): + """ + HHblits does not assign predicted secondary structure by default. + You can optionally assign it with the addss.pl script provided by the + HH-suite. However, your HH-suite installation requires you to specify + paths to PSIRED etc. We refer to the HH-suite user guide for further + instructions. + + :param a3m_file: Path to file you want to assign secondary structure to + :type a3m_file: :class:`str` + """ + + a3m_file = os.path.abspath(a3m_file) addss_cmd = "perl %s %s" % (os.path.join(self.hhsuite_root, 'scripts/addss.pl'), a3m_file)