Examples with AsaCalculator org.biojava.nbio.structure.asa.AsaCalculator used on opensource projects

Example 1 with AsaCalculator

use of org.biojava.nbio.structure.asa.AsaCalculator in project jstructure by JonStargaryen.

the class AccessibleSurfaceAreaCalculatorTest method getBioJavaASA.

private static List<Double> getBioJavaASA(String id) throws IOException, StructureException {
    // load structure
    Structure protein = new PDBFileReader().getStructureById(id);
    AsaCalculator groupAsas = new AsaCalculator(protein, AsaCalculator.DEFAULT_PROBE_SIZE, AsaCalculator.DEFAULT_N_SPHERE_POINTS, AsaCalculator.DEFAULT_NTHREADS, false);
    // assign ASA
    return Arrays.stream(groupAsas.getGroupAsas()).map(GroupAsa::getAsaU).collect(Collectors.toList());
}