Remove alignment and rework rmsd calculation in extract_rmsd tool

galaxycomputationalchemistry / galaxy-tools-compchem

:mega: Galaxy Tools for Computational Chemistry

Apache License 2.0

14 stars 16 forks source link

Closed simonbray closed 3 years ago

simonbray commented 3 years ago

@bgruening @chrisbarnettster could one of you please review and merge when you have time? Thanks!

simonbray commented 3 years ago

Thanks!