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haddocking / haddock-restraints

Generate restraints to be used in HADDOCK
https://bonvinlab.org/haddock-restraints
MIT License
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Pad lines before parsing PDB #10

Closed rvhonorato closed 1 month ago

rvhonorato commented 3 months ago

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 commented 1 month ago

Maybe it's possible to use the pdb-handler