deeprank
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shall we disable realign_complexes()
Since we have a function to align PDB files, shall we disable realign_complexes() from hdf5?
realign_complexes() has the following issues:
- It needs pssm files as input even though the not-aligned hdf5 file contains features_raw/PSSM_ALA_raw and so on.
- It deletes the hdf5 file when an error occurs.
Sorry that we should have asked for this function in the first place.
yes it might be best ... i should have kept it as a quick fix and not part of the module.