VMD-L Mailing List

From: Enzo Vitale (enzo.vitale_at_epfl.ch)
Date: Tue May 02 2006 - 09:39:10 CDT

Dear VMD experts,

I have another simple question, again related to scripting VMD by
means of TCL: is there a predefined array variable holding the
coordinates of all atoms of a given molecule ?

So far, I get the coordinates via the following ugly expression:

[lindex [[atomselect top "index 25"] get {x y z}] 0]

when for instance I need the coordinates of the 26-th atom, but I
guess there must be a simpler and more readable form for getting the
same result.

Thank you in advance,
Enzo