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If fixed_residues_multi is supplied, the list of detectef fixed residues is wrong #8

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oteri opened this issue Feb 29, 2024 · 0 comments

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@oteri
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oteri commented Feb 29, 2024

Hello,
thank you for the hard work you have been doing.
I think I spotted a bug at this line:

fixed_residues_multi = json.load(fh)

I think, after the files is loaded, the list of residues must be split like it is done at line 100.

This is how I fixed the bug ( don't know if it is right, though):

        with open(args.fixed_residues_multi, "r") as fh:
            fixed_residues_multi = json.load(fh)
            fixed_residues_multi = { pdb:fixed_residues.split() for pdb,fixed_residues in fixed_residues_multi.items() }

Thank you again

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