Exclude Amino Acid letter During Compression

steineggerlab / foldcomp

Compressing protein structures effectively with torsion angles

GNU General Public License v3.0

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Exclude Amino Acid letter During Compression #58

Open mahdip72 opened 3 months ago

mahdip72 commented 3 months ago

Hello Thank you for this useful repository.

My question is how much customizable foldcomp compression procedure? I want to exclude all bytes related to amino acid types and side chain angles during compression. Only has backbone atom coordinates. How much is it possible to have this unique compression type which needs fewer bytes to store? Which part of the code should be changed?

Thanks

khb7840 commented 1 month ago

Currently, it's not implemented but exclusion of side chain angles would be easier while removal of amino acid types is tricky. Without side chain angles, it requires 8 bytes per amino acids to encode backbone (5.5 bytes/AA less compared to with side-chain angles. bytes for anchor coordinates omitted). I need to look into the code which part should be changed to accomplish this. I'll try implementing the backbone-only mode soon.