As a follow up to my last email asking whether there is a way to make 3D
grid representations of molecules
I have found a picture of the kind of thing I am after. Is there a way
to make anything similar to this
http://www.techfak.uni-bielefeld.de/ags/ai/projects/docking/images/align.2ptci-6p
Hi Chung-Ming Yu,
You can change the secondary structure identifiers as follows:
alter helix_selection,ss='H'
alter sheet_selection,ss='S'
alter loop_selection, ss='L'
The RMS deviation gives you information about the quality of the fit. The
lower the number, the better the fit.
Cheers,
Tsjerk
