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3 Commits

Author SHA1 Message Date
f4f672d514 Prototype origin residue 2025-11-20 13:40:42 +00:00
859ee4e04d fixed syntax errors 2025-11-20 13:40:17 +00:00
56d27f5a8c Made protein module 2025-11-20 13:39:43 +00:00
3 changed files with 17 additions and 5 deletions

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@ -2,3 +2,15 @@
# Build first residue including sidechain # Build first residue including sidechain
# Add ghost C' for first NeRF iteration # Add ghost C' for first NeRF iteration
# Using C # Using C
from protein.residue import Residue, ResidueName
from geometry.backbone import GEO, ORI
met1 = Residue(ResidueName.MET)
print(met1.name.value)
for atom in ORI:
met1.backbone["atoms"][atom] = ORI[atom]
print(met1.backbone["atoms"])

0
src/protein/__init__.py Normal file
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@ -29,12 +29,12 @@ class Residue():
self.name = name self.name = name
self.backbone = { self.backbone = {
atoms: { "N": None, "CA": None, "C": None, "O": None }, 'atoms': { "N": None, "CA": None, "C": None, "O": None },
phi: None, 'phi': None,
psi: None 'psi': None
} }
self.sidechain = { self.sidechain = {
atoms: {}, 'atoms': {},
chis: [] 'chis': []
} }