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johnnytam100 / AlphaCutter

This repository contains the AlphaCutter.py for the removal of non-globular regions from predicted protein structures.
https://doi.org/10.1002/pmic.202300176
MIT License
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Support for reading pdb.gz file #4

Closed Rohit-Satyam closed 1 month ago

Rohit-Satyam commented 1 month ago

Hi @johnnytam100

Is it possible to have functionality where we don't have to decompress the PDB files and run AlphaCutter on them? When working with more than 5K of proteins sometimes decompressing would take a lot of storage.

johnnytam100 commented 1 month ago

Hi @Rohit-Satyam , thanks for contacting. Seems pcmap that I used to calculate contact map does not support direct reading from .pdb.gz so currently it's hard to implement but will be my TODO list.