[−][src]Crate gchemol_geometry
Structs
Alignment | Alignment of candidate structure onto the reference |
Superposition | The result of alignment defining how to superimpose. |
Enums
SuperpositionAlgo |
Functions
close_contact | check if any pair of points come too close |
euclidean_distance | Return Cartesian distance between two points in 3D space. |
get_distance_matrix | Return all distances between any pair of points |
rand_point_on_sphere | Generating uniformly distributed point on a sphere Alternative method 1 as described in: http://corysimon.github.io/articles/uniformdistn-on-sphere/ |
rand_point_within_sphere | create a random point within a sphere References |
rand_points_within_sphere | Create random points within a sphere |
rand_rotate | |
rotate_about_x_axis | rotate coordinates about x axis in radian |
translate | Translate all points to a new location |
weighted_center_of_geometry | Return the geometric center |