sasa.h file

Reference
- Namespaces
- Functions

Namespaces

namespace xmol: Reworked original xmol.
namespace xmol::algo

Functions

void calc_sasa(const future::Span<geom::XYZ>& coords, future::Span<double> coord_radii, double solvent_radii, future::Span<double> result, int n_samples = 20, const future::Span<int>& sasa_points_indices = {})

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xmol/algo/sasa.h file

Contents

Namespaces

Functions