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Bug in symlinks creation at gather_templates #73

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rafwiewiora opened this issue Apr 7, 2016 · 0 comments
Open

Bug in symlinks creation at gather_templates #73

rafwiewiora opened this issue Apr 7, 2016 · 0 comments

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@rafwiewiora
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Here: https://github.com/choderalab/ensembler/blob/master/ensembler/initproject.py#L443

os.symlink() gets passed relative paths, which creates a wrongly pointed symlink - for example you will have called os.symlink('manual_pdb/X.pdb', 'structures/pdb/X.pdb'), which will create the structures/pdb/X.pdb symlink pointing to a file that would have had to be at structures/pdb/manual_pdb/X.pdb.

This is used when the --structure_paths argument is used with gather_templates to point to your local directory containing (some) of the pdb and sift files.

Will fix by passing absolute paths to os.symlink() ?

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