#include "grid.hpp"
#include "floodfill.hpp"
#include "model.hpp"
Go to the source code of this file.
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float | gemmi::cctbx_vdw_radius (El el) |
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float | gemmi::refmac_radius_for_bulk_solvent (El el) |
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template<typename T > |
void | gemmi::mask_points_in_constant_radius (Grid< T > &mask, const Model &model, double radius, T value, bool ignore_hydrogen, bool ignore_zero_occupancy_atoms) |
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template<typename T > |
void | gemmi::mask_points_in_varied_radius (Grid< T > &mask, const Model &model, AtomicRadiiSet atomic_radii_set, double r_probe, T value, bool ignore_hydrogen, bool ignore_zero_occupancy_atoms) |
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template<typename T > |
void | gemmi::set_margin_around (Grid< T > &mask, double r, T value, T margin_value) |
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template<typename T > |
void | gemmi::interpolate_grid (Grid< T > &dest, const Grid< T > &src, const Transform &tr, int order=2) |
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void | gemmi::mask_with_node_info (Grid< NodeInfo > &mask, const Model &model, double radius) |
| Populate NodeInfo grid for nodes near the model.
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void | gemmi::unmask_symmetry_mates (Grid< NodeInfo > &mask) |
| Skip nodes that are closer to a symmetry mate of the model than to the original model.
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template<typename T > |
void | gemmi::interpolate_grid_of_aligned_model2 (Grid< T > &dest, const Grid< T > &src, const Transform &tr, const Model &dest_model, double radius, int order=2) |
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template<typename T > |
void | gemmi::add_soft_edge_to_mask (Grid< T > &grid, double width) |
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