Hi Benedikt,
You can do a work around with '<' or '>':
Sele qm, q>0.999 and q<1.001
I checked that this works like this for my "obj" in PyMOL:
stored.q = []
iterate obj, stored.q.append(q)
q_arr = np.array(stored.q)
q_1 = q_arr[q_arr == 1] # only keep values of q that equal 1
Dear fellow users,
among other things I use pymol to edit PDB files so as to use them in
an ORCA calculation. This entails changing the occupancy and B-factors
to values of 0, 1 and 2.
Changing these entries to the appropriate values but selecting, e.g.,
all atoms with a q value of 1 or 1.00
