def center_vlist(vlist): """ Center a list of v3 vectors and return (center, centered_vlist_copy) """ center = v3.get_center(vlist) center_matrix = v3.translation(-center) return (center, [v3.transform(center_matrix, v) for v in vlist])
def get_crds(res_tags, soup): crds = [] i_residues = [soup.get_i_residue(r) for r in res_tags] for j, k in split_pairs(i_residues): for i in range(j, k+1): crds.append(soup.residue(i).atom('CA').pos) center = v3.get_center(crds) crds = [c-center for c in crds] return crds
def get_crds(res_tags, soup): crds = [] i_residues = [soup.get_i_residue(r) for r in res_tags] for j, k in split_pairs(i_residues): for i in range(j, k + 1): crds.append(soup.residue(i).atom('CA').pos) center = v3.get_center(crds) crds = [c - center for c in crds] return crds