a collection of matlab functions to read proteins from pdb format and calculate parameters. pdbread read a pdb file with optional het atoms selectAmino chooses just ...

This is a place to jot down project ideas, and link to WikiWords for projects where the ideas are more fleshed out. OptimizingRosetta for ideas specifically pertaining ...

TOC Estimating protein void volumes Question: is it worthwhile putting in an estimate of the void volume as part of the energy function for optimizing rotamer choices ...