[PyMOL] Rotation of maps when aligning

[EPF (E. P. Friis) <ep...@no...>]

=20

Hi PyMOLers

I have a bunch of structures, for which I have calculated electrostatic
potential maps (using Gromacs and MEAD). I can easily load the
structures and corresponding maps into PyMOL and display a color coded
surface. But when I try to align the structures, only the atomic
coordinates are transformed - the electrostatic maps remain in their
original orientations. As PyMOL update the surfaces after the alignment,
the resulting surface colors are completely wrong. Doing things in
another order doesn't help.

As far as I can see from a posting from March 3rd (by John Eksterowicz),
the problem is exactly the same for a density map.=20

In my case, the workaround is to align all the structures before I do
the electrostatic calculation - but it would be better if the maps could
be assigned to the coordinate system of a structure. In this way, the
maps would still be vaild after a 3D-alignment. Is there a way to do
this?


Best regards

Esben