miniworld.utils.kinematics

Functions

Qs2Rs(Qs)
Rs2Qs(Rs)
avgQ(Qs)	average a set of quaternions input dims: Qs - (B,N,R,4) averages across 'N' dimension
c6d_to_bins(c6d[, params])	bin 2d distance and orientation maps
c6d_to_bins2(c6d, same_chain[, ...])	bin 2d distance and orientation maps
dist_to_bins(dist[, params])	bin 2d distance maps
dist_to_onehot(dist[, params])
get_ang(a, b, c)	calculate planar angles for all consecutive triples (a[i],b[i],c[i]) from Cartesian coordinates of three sets of atoms a,b,c
get_dih(a, b, c, d)	calculate dihedral angles for all consecutive quadruples (a[i],b[i],c[i],d[i]) given Cartesian coordinates of four sets of atoms a,b,c,d
get_pair_dist(a, b)	calculate pair distances between two sets of points
normQ(Q)	normalize a quaternions
xyz_to_bbtor(xyz[, params])
xyz_to_c6d(xyz[, params])	convert cartesian coordinates into 2d distance and orientation maps
xyz_to_chi1(xyz_t)	convert template cartesian coordinates into chi1 angles
xyz_to_t2d(xyz_t, mask[, params])	convert template cartesian coordinates into 2d distance and orientation maps