This is an extension module implementing one performance-critical function used to create a machine learning dataset of 3D images of macromolecules with labeled amino acid identities. Specifically, the function accepts a dataframe of atoms in the image, then samples a fixed number of residues whose sidechains are likely to be mostly within the image. To avoid biasing the samples based on the specific sidechains involved (e.g. glycine has a smaller sidechain than arginine, so it might be sampled more often if the actual sidechain was considered), this "within the image" determination is based entirely on backbone coordinates.
FAQs
Find residues with sidechains in a specific region
We found that visible-residues demonstrated a healthy version release cadence and project activity because the last version was released less than a year ago. It has 1 open source maintainer collaborating on the project.
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