sPyRMSD documentation

spyrmsd is a Python tool for symmetry-corrected RMSD calculations.

Contents:

• Installation
  • Installation
  • Dependencies
• Tutorial
  • OpenBabel or RDKit
  • Loading Molecules
  • Loading RDKit or OpenBabel Molecules
  • Removing Hydrogen Atoms
  • Symmetry-Corrected RMSD
  • Change Backend
• API
  • spyrmsd package

Indices and tables

• Index

• Module Index

• Search Page