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Pad lines before parsing PDB #10

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rvhonorato opened this issue Jun 12, 2024 · 1 comment
Open

Pad lines before parsing PDB #10

rvhonorato opened this issue Jun 12, 2024 · 1 comment

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@rvhonorato
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Some of our "golden data" is in the incorrect format, missing some spaces in the end;

This line was too short to parse the expected data field (at 76 to 78)
, InvalidatingError: Line too short
    ╷
190 │ ATOM    311  O1P  DT B  32      -7.080   5.978  23.824  1.00  0.00      B
    ·                                                                         ────
    ╵

This can be fixed by padding the lines
@rvhonorato
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Maybe it's possible to use the pdb-handler

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10-pad-lines-before-parsing-pdb haddocking/haddock-restraints
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@rvhonorato