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from ost import settings
from ost import bindings
import subprocess
import re
def GetHHblitsVersionString():
version_string = None
# raises if hhblits binary is not in path
try:
hhblits_bin = settings.Locate('hhblits')
except:
raise RuntimeError('Tried to determine HHblits version string which '\
'requires the hhblits binary to be in your path. '\
'Couldnt find it...')
# run hhblits to determine version
proc = subprocess.run([hhblits_bin, '-h'], stdout=subprocess.PIPE)
# regular expression in the form
# HHblits, whatever except newline, x.y.z
# where x.y.z are the version numerals
version_line = re.search(r'HHblits[^\n]+\d+\.\d+\.\d+', proc.stdout.decode())
if version_line is not None:
version = re.search(r'\d+\.\d+\.\d+', version_line.group())
if version is not None:
version_string = version.group()
return version_string
hhblits_version_string = GetHHblitsVersionString()
if hhblits_version_string is None:
raise RuntimeError('Could not determine HHblits version. Please '\
'import the hhblits2 or hhblits3 binding explicitely.')
hhblits_version = int(hhblits_version_string.split('.')[0])
if hhblits_version == 2:
from ost.bindings.hhblits2 import *
elif hhblits_version == 3:
from ost.bindings.hhblits3 import *
else:
raise RuntimeError('Determined HHblits version to be %i. OpenStructure '\
'only supports 2 or 3. If you think the detected '\
'version is wrong and you have version 2 or 3, '\
'import the hhblits2 or hhblits3 binding explicitely.'\
%(hhblits_version))
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