Is it possible to save a state and then reload that state from disk or
as part of a very long command?
save state, move molecule, restore state works just fine but I'd like
to be able to load such a state from scratch without having saved it
in the same session.
All the best
Nick
--
3D
Hi Nick
Yes, you can save the state:
With the application you can save to disk. The command is
write state
Or, from the menu, File Export State
With the applet,
show state
then copy from the console and paste where you want.
Or from the pop-up menu, both app and applet:
There appears to be a bug in 11.5.46: after a spin command the molecule
is resized and centered in an erroneous way, off axis.
--
Dr. Sérgio Ceroni da Silva
Centro de Biotecnologia, Universidade Federal do Rio Grande do Sul
Av. Bento Gonçalves, 9500 - Prédio 43421 - Campus do Vale - Caixa
Is there a way that I'm not seeing (I'm sure there must be) to test the size
(in number of atoms) of the current selection?
I've tried:
select ligand;
natoms = selected.size;
This sets natoms to 0, while:
select {:Z};
natoms = {:Z}.size;
sets natoms to the proper atomcount of chain Z. center
Tom, without testing it, but following literally your message, I'd say you
should try
natoms = {selected}.size;
-
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