implement quaternion superimposition

singa-bio / singa

:leaves: SiNGA (Simulation of Natural Systems using Graph Automata) is an open-source library containing tools especially for structural bioinformatics and systems biology.

MIT License

8 stars 2 forks source link

implement quaternion superimposition #78

Closed fkaiserbio closed 6 years ago

fkaiserbio commented 6 years ago

an improvement of structure superimposition
can be computed in better time: http://www.ncbr.muni.cz/~dave/SiteBinder/docs/thesis.pdf

fkaiserbio commented 6 years ago

found another potentially valuable resource that is proposed to be super fast: https://www.ncbi.nlm.nih.gov/pubmed/20017124

cleberecht commented 6 years ago

implemented in latest stable release https://github.com/cleberecht/singa/releases/tag/v0.4.0