Implemented class Residue and enum ResidueName. TODO: validate data with ResidueName.
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src/protein/residue.py
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40
src/protein/residue.py
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from enum import Enum
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import numpy as np
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class ResidueName(Enum):
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GLY = "GLY"
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ALA = "ALA"
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VAL = "VAL"
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LEU = "LEU"
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ILE = "ILE"
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SER = "SER"
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THR = "THR"
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PHE = "PHE"
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TYR = "TYR"
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HIS = "HIS"
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TRP = "TRP"
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CYS = "CYS"
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MET = "MET"
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ARG = "ARG"
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GLU = "GLU"
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GLN = "GLN"
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ASN = "ASN"
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LYS = "LYS"
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ASP = "ASP"
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PRO = "PRO"
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class Residue():
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def __init__(self, name: ResidueName):
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self.name = name
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self.backbone = {
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atoms: { "N": None, "CA": None, "C": None, "O": None },
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phi: None,
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psi: None
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}
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self.sidechain = {
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atoms: {},
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chis: []
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}
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