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The repair of two ends of peptide didn't return the desired result #283

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bdx114514 opened this issue Dec 6, 2023 · 0 comments
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@bdx114514
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Hi,

I generate a pdb file of a short peptide (without hydrogens) and want to use pdbfixer to repair all the missing atoms. However, the result is not ideal. N-terminal is repaired to -NH3 and C-terminal is repaired to -COO

I have uploaded the script I write and the result. Do I need some additional settings to repair two ends to standard amino and carboxyl?
upload.zip

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