miniworld.utils.kinematics.xyz_to_t2d¶

miniworld.utils.kinematics.xyz_to_t2d(xyz_t, mask, params={'ABINS': 36, 'DBINS': 36, 'DMAX': 20.0, 'DMIN': 2.0})[source]¶

convert template cartesian coordinates into 2d distance and orientation maps

Parameters:

xyz_t (pytorch tensor of shape [batch,templ,nres,natm,3]) – stores Cartesian coordinates of template backbone N,Ca,C atoms
mask (pytorch tensor of shape [batch,templ,nrres,nres]) – indicates whether valid residue pairs or not

Returns:

t2d – stores stacked dist,omega,theta,phi 2D maps

Return type:

pytorch tensor of shape [batch,nres,nres,37+6+1]