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Fixes a bug when using --nofix #126

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merged 1 commit into from
Mar 29, 2022
Merged

Fixes a bug when using --nofix #126

merged 1 commit into from
Mar 29, 2022

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zrt
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@zrt zrt commented Mar 25, 2022

self.protcomplex, self.filetype = read_pdb(self.corrected_pdb, as_string=True)

This line (link ) sets as_string=True, but the self.corrected_pdb may fallback to pdbpath (when use --nofix or PDBParser meets some errors, see link1 and link2 ).

I changed this line to fix this problem.

self.protcomplex, self.filetype = read_pdb(self.corrected_pdb, as_string= (self.corrected_pdb != pdbpath)) 

Thank you.

@zrt zrt changed the base branch from master to development March 25, 2022 12:52
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@fkaiserbio fkaiserbio merged commit a2223b8 into pharmai:development Mar 29, 2022
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Thanks for this contribution!

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2 participants