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Add a Nucleic Acid-Containing PDB to the test suite. #131

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@zachcp zachcp commented Nov 24, 2024

cargo test -p pdbtbx run_pdbs -- --nocapture
Working on file: /Users/zcpowers/Documents/Projects/pdbtbx/example-pdbs/1BC8.pdb
LooseWarning: SEQRES inconsistent residues
    ╷
342 │ SEQRES   1 A   10   DT  DA  DC  DC  DG  DG  DA  DA  DG  DT
    ·                    ─── ─── ─── ─── ─── ─── ─── ─── ─── ───
    ╰SEQRES definition
  ╷
1 │  DA DA DC DT DT DC DC DG DG DT
  ╰Residues found in ATOM definitions
The residues as defined in the SEQRES records do not match with the found residues, see above for details.

LooseWarning: SEQRES inconsistent residues
    ╷
342 │ SEQRES   1 A   10   DT  DA  DC  DC  DG  DG  DA  DA  DG  DT
    ·                    ─── ─── ─── ─── ─── ─── ─── ─── ─── ───
    ╰SEQRES definition
  ╷
1 │  DT DA DC DC DG DG DA DA DG DT
  ╰Residues found in ATOM definitions
The residues as defined in the SEQRES records do not match with the found residues, see above for details.

Found 1356 atoms, in 275 residues, in 3 chains, in 1 models it all took 2 ms
PDB parsed
Set values
Counted for averages
Found averages
Average B factor: Total: 16.988, Backbone: 15.760, Sidechains: 17.452

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