Bugfix/fix issue 58 - #59
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Now compares the ordered per-atom signature between the existing pdbdata and the upcoming one and raises the first differing atom index and a reordering receipt.
PDBData:
_compute_backbone_indicies() rewritten. atom_select() clears the cached atom_info.
…_bondlength, get_dihedrals, and get_inversions accordingly.
ryankzhu
marked this pull request as draft
August 17, 2026 10:22
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See issue #58