Heme: molecular modeling library written in Rust

Heme is an implementation of force-field based molecular modeling in the Rust language. It's a work in progress that's helping me learn Rust. I hope that it will eventually be useful, but right now it's not. (For good implementations of force-field based molecular modeling, see the OpenMM or Lumol projects.)

Features

Heme is centered around proteins, so right now

• parse PDB structures
• Pose object representing a protein structure
• Atom object that represents a single atom
• both Pose and Atom have methods that are useful for calculating structural features, such as the distance between two atoms, or the residues within some cutoff of a provided atom

Plans

• I intend to keep Heme a simple library for reading PDBs and working with protein structures as I continue to learn Rust
• Simple molecular modeling is possible, it would be interesting to learn about implementing a force field
• I'd like to add some nice features like
  • get the sequence of a Pose object
  • a Residue object