Merge pull request #50 from bjornwallner/NA

Force ordering of atoms according to backbone list

Merge pull request #46 from bjornwallner/revision

Bugfixes, a few extra features

Merge pull request #31 from bjornwallner/pocket

pocket aligned lrmsd

Merge pull request #25 from bjornwallner/ligand

Get symmetry-corrected LRMSD for small molecules

updated testdata

Merge pull request #24 from bjornwallner/mapping

DockQ v2.0

removed CAPRI calculation