Le Vendredi 8 Novembre 2002 16:00, Bimo Ario Tejo a écrit :
> Dear Amber users,
> I have to ask this question again because nobody helps me to answer it
> until now. Does anyone know how to analyse residue cross-correlation over a
> trajectory in Amber? I *really* need this analysis tool. If Amber can't do,
> please tell me how to do it using another package.
> Any help would be really appreciated.
I don't know what you mean by cross correlation, but if it fits my point of
view, here is one way to do it :
Monitor the distances between these residues (or any relevant parameter to
you), and use xmgrace to do the correlation.
In XmGrace, (available at http://plasma-gate.weizmann.ac.il/Grace/
), you can
load the two sets independently, and then do a correlation by going in :
Data -> Transformations -> Evaluate expression, and in the dialog box that
appear, write this :
assuming your data file is like x, y :
copy s0 to s2 (apply)
Like this, you'll have the cross correlation you need.
Teletchéa Stéphane - CNRS UMR 8601
Lab. de chimie et biochimie pharmacologiques et toxicologiques
45 rue des Saints-Peres 75270 Paris cedex 06
tel : (33) - 1 42 86 20 86 - fax : (33) - 1 42 86 83 87
mél : steletch_at_biomedicale.univ-paris5.fr
Received on Tue Nov 12 2002 - 02:57:10 PST