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33c10efe62
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testing
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2025-11-28 21:27:34 +00:00 |
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a37e07998c
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Added length & angle for backbone oxygen, converted ORI lists to np.array()
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2025-11-28 21:17:58 +00:00 |
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6af9e40f77
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Declared summary()
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2025-11-28 21:17:07 +00:00 |
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312a2b875c
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implementented generating backbone for first residue and the ghost residue
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2025-11-28 21:16:33 +00:00 |
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0df7dc4247
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Fixed dictionary syntax errors
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2025-11-28 20:23:12 +00:00 |
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c8040a72f3
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Implemented class Residue and enum ResidueName. TODO: validate data with ResidueName.
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2025-11-18 11:26:41 +00:00 |
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45d5048dfe
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Added MET1 coordinates from 6G4A
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2025-11-18 11:00:18 +00:00 |
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74f13b848e
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Added PDB 6G4A for reference
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2025-11-17 21:23:52 +00:00 |
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cebc187be8
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Removed performance claims before rewrite
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2025-11-17 21:14:01 +00:00 |
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a7269c2263
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Added backbone geometry dictionary using idealized bond lengths.
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2025-11-17 21:12:12 +00:00 |
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803cd66a34
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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
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2025-11-15 22:01:30 +00:00 |
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a21b8e97a7
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Implemented obtaining phi, psi, chi angles in main
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2025-11-15 21:27:36 +00:00 |
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24a55a56e0
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Added files from previous iteration for reference
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2025-11-15 20:45:42 +00:00 |
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Joel Wallace
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a73dbc94a2
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Added Python suitable gitignore
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2025-11-15 15:25:11 +00:00 |
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Joel Wallace
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d42240f739
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Implemented Dunbrack rotatmer library from ChimeraX
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2025-11-15 15:23:31 +00:00 |
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Joel Wallace
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7d64f3abc0
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Edit README.md -> About
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2025-11-15 12:18:00 +00:00 |
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Joel Wallace
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7efe97a9e8
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Added performance claim
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2025-11-15 12:14:53 +00:00 |
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Joel Wallace
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a7914ce9a6
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Added brackets
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2025-11-15 12:12:24 +00:00 |
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Joel Wallace
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5cf0b79bb6
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Add project title and subtitles
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2025-11-15 12:07:08 +00:00 |
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Joel Wallace
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6f1cfb6f3b
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Initial commit
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2025-11-15 12:00:20 +00:00 |
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