Implemented class Residue and enum ResidueName. TODO: validate data with ResidueName.

This commit is contained in:
Joel Wallace 2025-11-18 11:26:41 +00:00
parent 45d5048dfe
commit c8040a72f3

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