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croth1 avatar croth1 commented on September 28, 2024

Hi Lukas! Thanks for offering your help! Please excuse that responding may take a bit longer than usual, @meiermark is currently not available.

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meiermark avatar meiermark commented on September 28, 2024

Good question.
If there is a dali or scop identifier you would have to map it to the corresponding PDB entry.

And you would need a PDB parser in case there are no mmcifs.

In doubt you have to check if your sequence comes from the PDB or MMcif.

If you want to adjust this script for pdb's it is probably useful to first adjust the script pdb2fasta.py so it can handle the pdb format in the same way as the MMcif format.

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meiermark avatar meiermark commented on September 28, 2024

Since the MMcif format shall replace the old pdb format, there is probably no reason to integrate support for the old format.

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