xyztopdb file.xyz
Project description
xyzToPdb
Convert .xyz to .pdb (guess residues).
Problem:
Someone converted file.pdb to file.xyz but only gave you file.xyz => you can't visualize the protein(s) in file.xyz (because it has no residue information).
Solution: pip install xyzToPdb; xyzToPdb file.xyz # outputs file.pdb
Inspired by this stackexchange post.
How?
Runs a Transformer trained with the loss cross_entropy(Transformer(file.xyz) - file.pdb) on 80% of PDB anno 2024. The model got ~99% residue_acc and ~99% ca_cb_acc on the 20% validation set.
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