Function to convert input recycle schedule into a list of recycles. Input: - T: Max T - rec_sched: timestep:num_recycles|ti

Copies names of ligand residue and ligand heavy atoms from input pdb into output (design) pdb.

Converts 6D rotation representation by Zhou et al. [1] to rotation matrix using Gram--Schmidt orthogonalization per Section B of [1]. Arg

Function for writing multiple structural states of the same sequence into a single pdb file.

convert template cartesian coordinates into chi1 angles Parameters ---------- xyz_t: pytorch tensor of shape [batch, templ, nres, 14, 3]