This adds support for analysing configurations using the Voronota-LT library. Currently only accessible surface areas are reported, but contact maps are already calculated. On a 500-mer polymer, the algorithm is 4-5 times faster than the current sasa analysis when using non-periodic boundaries. With PBC it's about 2 times faster.
This adds support for analysing configurations using the Voronota-LT library. Currently only accessible surface areas are reported, but contact maps are already calculated. On a 500-mer polymer, the algorithm is 4-5 times faster than the current
sasaanalysis when using non-periodic boundaries. With PBC it's about 2 times faster.