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Foldcomp v0.0.2
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@khb7840 khb7840 released this 07 Oct 09:22
· 155 commits to master since this release
v0.0.2
652916f

First release of Foldcomp

Foldcomp compresses protein structures with torsion angles effectively. It compresses the backbone atoms to 8 bytes and the side chain to additional 4-5 bytes per residue, thus an averaged-sized protein of 350 residues requires ~6kb.

Features

  • Multithreading using OpenMP
  • Python interface
  • Supports CIF & gzipped input using gemmi
  • Reduced RMSD by saving inner atoms (~0.1Å by default)
  • TAR and MMseqs database format support
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