bartongroup / ProIntVar

The core bits of ProIntVar
MIT License
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DSSPRunner cannot create dssp db folder #7

Closed stuartmac closed 7 years ago

stuartmac commented 7 years ago

So after a fresh install, going through the tutorial I got an error from DSSPrunner.

>>> DSSPrunner(inputfile=input_struct, outputfile=output_dssp).write()
DSSP could not be created due to an error:
could not create output file
Traceback (most recent call last):
  File "<stdin>", line 1, in <module>
  File "/homes/smacgowan/anaconda2/envs/varalign_dev_py3/lib/python3.5/site-packages/ProIntVar_Core-0.1-py3.5.egg/prointvar/dssp.py", line 483, in write
    return self.run(**kwargs)
  File "/homes/smacgowan/anaconda2/envs/varalign_dev_py3/lib/python3.5/site-packages/ProIntVar_Core-0.1-py3.5.egg/prointvar/dssp.py", line 500, in run
    save_new_input=save_new_input, clean_output=clean_output)
  File "/homes/smacgowan/anaconda2/envs/varalign_dev_py3/lib/python3.5/site-packages/ProIntVar_Core-0.1-py3.5.egg/prointvar/dssp.py", line 426, in _run
    raise IOError("DSSP output not generated for {}".format(self.outputfile))
OSError: DSSP output not generated for ./dssp/2pah.dssp

It looks like this is because it can't create the db_dssp folder on the fly because it worked when I run it after mkdir dssp...

biomadeira commented 7 years ago

Opened a new generic issue for this - see https://github.com/bartongroup/FM_ProIntVar-Core/issues/9