jdw
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  • Joined on 2025-11-15
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jdw pushed to master at jdw/primacito 2025-11-28 21:29:16 +00:00
2bab035cbc Started GEO dictionary
33c10efe62 testing
a37e07998c Added length & angle for backbone oxygen, converted ORI lists to np.array()
6af9e40f77 Declared summary()
312a2b875c implementented generating backbone for first residue and the ghost residue
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jdw pushed to master at jdw/primacito 2025-11-20 13:42:11 +00:00
f4f672d514 Prototype origin residue
859ee4e04d fixed syntax errors
56d27f5a8c Made protein module
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jdw pushed to master at jdw/primacito 2025-11-18 11:26:46 +00:00
c8040a72f3 Implemented class Residue and enum ResidueName. TODO: validate data with ResidueName.
jdw pushed to master at jdw/primacito 2025-11-18 11:00:24 +00:00
45d5048dfe Added MET1 coordinates from 6G4A
jdw pushed to master at jdw/primacito 2025-11-17 21:23:55 +00:00
74f13b848e Added PDB 6G4A for reference
jdw pushed to master at jdw/primacito 2025-11-17 21:14:05 +00:00
cebc187be8 Removed performance claims before rewrite
jdw pushed to master at jdw/primacito 2025-11-17 21:12:16 +00:00
a7269c2263 Added backbone geometry dictionary using idealized bond lengths.
jdw pushed to master at jdw/primacito 2025-11-15 22:01:35 +00:00
803cd66a34 Implemented Natural Extended Reference Frame algorithm for adding the fourth atom based on the previous three coords, the new bond angle and new torsion angle
jdw pushed to master at jdw/primacito 2025-11-15 21:27:39 +00:00
a21b8e97a7 Implemented obtaining phi, psi, chi angles in main
jdw pushed to master at jdw/primacito 2025-11-15 20:45:45 +00:00
24a55a56e0 Added files from previous iteration for reference
jdw pushed to master at jdw/primacito 2025-11-15 20:25:32 +00:00
a73dbc94a2 Added Python suitable gitignore
d42240f739 Implemented Dunbrack rotatmer library from ChimeraX
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jdw pushed to master at jdw/primacito 2025-11-15 12:18:03 +00:00
7d64f3abc0 Edit README.md -> About
jdw pushed to master at jdw/primacito 2025-11-15 12:14:56 +00:00
7efe97a9e8 Added performance claim
jdw pushed to master at jdw/primacito 2025-11-15 12:12:35 +00:00
a7914ce9a6 Added brackets
jdw pushed to master at jdw/primacito 2025-11-15 12:07:40 +00:00
5cf0b79bb6 Add project title and subtitles
jdw created branch master in jdw/primacito 2025-11-15 12:02:25 +00:00
jdw pushed to master at jdw/primacito 2025-11-15 12:02:25 +00:00
6f1cfb6f3b Initial commit
jdw created repository jdw/primacito 2025-11-15 11:59:01 +00:00