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