10 Dec
2020
10 Dec
'20
5:18 p.m.
Hi Rob, sure, for examples in Python have a look at mmtbx/tls/analysis.py and search for eigen. Also here: regression/tls/tst_get_t_scheme.py . For examples in C++ see mmtbx/tls/tls.h and bulk_solvent/bulk_solvent.h . Pavel On 12/10/20 06:57, Robert Oeffner wrote:
scipy.linalg.eig is useful for diagonalising a 3x3 matrix to find eigenvalues and eigenvectors. Does anybody know if there is code in CCTBX which can also do this?
Rob