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a-r-j / graphein

Protein Graph Library
https://graphein.ai/
MIT License
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Missing Residue in resi_atoms.py #200

Closed EyalRozenberg1 closed 2 years ago

EyalRozenberg1 commented 2 years ago

Describe the bug MSE residue is missing in RESI_NAMES, RESI_THREE_TO_1 at graphein/protein/resi_atoms.py

To Reproduce Steps to reproduce the behavior:

  1. Go to > https://github.com/a-r-j/graphein/blob/553fd2615e69fcad74c6c2659b795faf6d1c798b/graphein/protein/resi_atoms.py
  2. see

    https://github.com/a-r-j/graphein/blob/553fd2615e69fcad74c6c2659b795faf6d1c798b/graphein/protein/resi_atoms.py#L278 https://github.com/a-r-j/graphein/blob/553fd2615e69fcad74c6c2659b795faf6d1c798b/graphein/protein/resi_atoms.py#L372

  3. Both are missing MSE residue

To solve Add MSE to RESI_NAMES and MSE: M to RESI_THREE_TO_1

best, Eyal

a-r-j commented 2 years ago

Thanks for the report, Eyal! Should be fixed in 1.5.1 :)