[PyMOL] equals operator for q and b

[Benedikt F. <ben...@ce...>]

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 with something like
'select qm, q = 1' fails whereas it works with partial charges or
formal charges. Is there any way to do this without resorting to
workarounds with '<' or '>'?

Best
-- 
Dr. Benedikt M. Flöser
Max-Planck-Institute for Chemical Energy Conversion
Stiftstraße 34-36
45470 Mülheim a.d. Ruhr
Germany