eduSoft LC Toolkit Programmers' Guide

(New in 4.08)(Revised in 4.08)

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Grid Box Objects

Grid Header File
Grid Box Creation
eslc_grid_create_box
eslc_grid_delete_box
eslc_grid_calculate_box
eslc_bit_grid_box_calculated
Grid Box Attributes
eslc_grid_set_center
eslc_atom_set_grid_center
eslc_grid_get_center
eslc_bit_grid_box_center
eslc_grid_set_x_extents
eslc_grid_set_y_extents
eslc_grid_set_z_extents
eslc_molecule_set_grid_extents
eslc_grid_get_x_extents
eslc_grid_get_y_extents
eslc_grid_get_z_extents
eslc_bit_grid_box_extents
eslc_grid_set_all_gridspacings
eslc_grid_set_x_gridspacing
eslc_grid_set_y_gridspacing
eslc_grid_set_z_gridspacing
eslc_grid_get_all_gridspacings
eslc_grid_get_x_gridspacing
eslc_grid_get_y_gridspacing
eslc_grid_get_z_gridspacing
eslc_bit_grid_box_gridspacings
eslc_grid_set_all_axispoints
eslc_grid_set_x_axispoints
eslc_grid_set_y_axispoints
eslc_grid_set_z_axispoints
eslc_grid_get_all_axispoints
eslc_grid_get_x_axispoints
eslc_grid_get_y_axispoints
eslc_grid_get_z_axispoints
eslc_bit_grid_box_axispoints
eslc_grid_set_margin
eslc_grid_get_margin
eslc_bit_grid_box_margin
eslc_grid_set_widths
eslc_grid_get_widths
eslc_grid_set_consistentspacing_on
eslc_grid_set_consistentspacing_off
eslc_grid_get_consistentspacing
Grid Box Methods
eslc_grid_read_box
eslc_grid_write_box
eslc_grid_extents_molecule_calculate_extents_union
eslc_grid_extents_molecule_calculate_extents_intersection
eslc_grid_indices_get_coordinates

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Grid Map Objects

Grid Map Creation
eslc_grid_create_map
eslc_grid_delete_map
eslc_grid_map_copy_map
eslc_grid_map_copy_interpolatedmap
Grid Map Attributes
eslc_grid_get_molecule
eslc_grid_get_box
eslc_grid_get_pointcount
eslc_grid_set_maptype
eslc_grid_get_maptype
eslc_grid_set_description
eslc_grid_get_description
eslc_grid_map_get_minvalue
eslc_grid_map_get_maxvalue
eslc_grid_map_get_sumvalues
eslc_grid_map_get_sumsquarevalues
eslc_grid_map_get_pointvalue
eslc_grid_map_get_rowvalues
eslc_grid_map_get_sheetvalues
eslc_grid_map_get_allvalues
eslc_grid_map_scalar_set_allvalues
eslc_grid_map_set_pointvalue
Grid Map Methods
eslc_grid_read_map
eslc_grid_write_map
eslc_grid_map_scale
eslc_grid_map_add_constant
eslc_grid_map_add_map
eslc_grid_map_add_interpolatedmap
eslc_grid_map_calculate_metrics
eslc_grid_find_point_point_distance
Integer Grid Maps
eslc_grid_create_intmap
eslc_grid_delete_intmap
eslc_grid_intmap_set_allvaluesTRUE
eslc_grid_intmap_set_allvaluesFALSE
eslc_grid_intmap_get_allvalues
eslc_grid_intmap_get_sheetvalues
eslc_grid_intmap_get_rowvalues
eslc_grid_intmap_get_pointvalue
eslc_grid_intmap_get_minvalue
eslc_grid_intmap_get_maxvalue
eslc_grid_intmap_get_sumvalues
eslc_grid_intmap_get_sumsquarevalues
eslc_grid_intmap_is_pointvalueTRUE
eslc_grid_intmap_find_TRUEcount
eslc_grid_intmap_find_FALSEcount
eslc_grid_intmap_find_TRUEvolume
eslc_grid_intmap_find_FALSEvolume
eslc_grid_intmap_calculate_metrics
eslc_grid_intmap_invert
eslc_grid_intmap_intersection_intmap
eslc_grid_intmap_union_intmap
eslc_grid_intmap_intersection_2moleculeVDW
eslc_grid_intmap_intersection_moleculeSASA
eslc_grid_intmap_exclude_molecule_range
eslc_grid_intmap_range_intersection_moleculesincontact

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