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REVDAT entry converted to PDB format #20
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Looking at it, translating revision record would be problematic. For example, in 6LU7:
would need to be translated to:
Out of curiosity, what do you need it for? |
I think the code I posted does something close to that. Although I've left out the last column with revision reasons, but I could add that in. |
I don't mind posting the above as a PR with the extra column for the revision reason added, if that helps. |
I meant that the last columns of REVDAT would be difficult to generate. How would you do it? From category? |
Ah that is a fair point - I'm not sure if the RCSB has a conversion table. I'll look. |
if I may ask - why do you switch between mmCIF and PDB? |
It's a fair question, we convert the MMCIF header to a PDB-style header for historical reasons. The work involved switching our current codebase to parse each natively would be significant. And we only need to do this for those structure where there is only an MMCIF structure and not a corresponding PDB form. |
Sadly, there doesn't seem to be a proper mapping between the PDB and MMCIF notations. |
I'm inclined to leave REVDAT out, at least for now. Maybe you can find a workaround to store the last revision number and date in the database. |
Given the limited mappings from the wwpdb, I agree with you. The code above does do that I need so I have it on a fork. I’d be much happier prioritizing the DBREF data instead. |
in the write_remarks function in to_pdb.hpp , could you add the REVDAT entry. I've pasted some code that should work below.
and in mmcif.hpp
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