While parsing the pdb file from <a href="https://www.rcsb.org/structure/2BTV" rel="nof

Thanks for raising the issue. I see that I missed the number <code class="notranslate"

Panic while parsing about pdbtbx HOT 3 CLOSED

bddap commented on June 11, 2024

Panic while parsing

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Comments (3)

bddap commented on June 11, 2024 1

Awesome! The change both removes the panic and fixes parsing of that specific file. Thanks for getting to this so quickly.

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bddap commented on June 11, 2024

pdbtbx/src/structs/pdb.rs

Line 114 in c3dedf0

 assert!(reference_tables::valid_remark_type_number(remark_type), "The given remark-type-number is not valid, see wwPDB v3.30 for valid remark-type-numbers"); 

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douweschulte commented on June 11, 2024

Thanks for raising the issue. I see that I missed the number 400 as a valid remark type number somehow. In the process I made the error message better in the future errors like this will look different and are printed with all other errors:

StrictWarning: Remark type number invalid
    ╷
446 │ REMARK 400 MOLECULE 2 HAS SEGID 2201, VP7Q MOLECULE 3 HAS SEGID 2301,
    ·        ───
    ╵
The remark-type-number is not valid, see wwPDB v3.30 for all valid numbers.

I also verified that there are no other issues with parsing this file. So you will be able to use this file for your work.

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