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Automatic Repair of missing PDB coordinates #457

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fgrunewald opened this issue Sep 1, 2022 · 1 comment
Open

Automatic Repair of missing PDB coordinates #457

fgrunewald opened this issue Sep 1, 2022 · 1 comment

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@fgrunewald
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fgrunewald commented Sep 1, 2022

Here is a webserver which also has a pypi package that is separately install able. It repairs protein pdbs adding missing atoms etc.

https://pypi.org/project/Pras-Server/

Like with the proPka we could use it to clean the input PDB. I tried the webversion on a moderately big protein and it works quite nicely.

Added bonus: It can assign secondary structure with similar accuracy as DSSP without being equally shitty at output. I need to test more but could be a very nice plugin.

@pckroon
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pckroon commented Sep 1, 2022

Cool, I like it. It would also add the option of reading mmcif files, which is a big plus.

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