Closed IAlibay closed 4 weeks ago
Related to #4748
The following worked before we introduced the new guesser API:
import MDAnalysis as mda import numpy as np a = np.array([ [0., 0., 150.], [0., 0., 150.], [200., 0., 150.], [0., 0., 150.], [100., 100., 150.], [200., 100., 150.], [0., 200., 150.], [100., 200., 150.], [200., 200., 150.] ]) u = mda.Universe(a, n_atoms=9)
However, as of the new guesser API, this will fail with due to a lack of atom names.
Related to #4748
The following worked before we introduced the new guesser API:
However, as of the new guesser API, this will fail with due to a lack of atom names.