VMD-L Mailing List

From: Samuel Flores (samuel.flores_at_yale.edu)
Date: Sun Jul 31 2005 - 14:58:36 CDT

Cool, that works.

Does anyone know how I can rotate the coordinates of a molecule? It is not
enough to move the molecule in the screen display, I need to rotate the
atomic coordinates themselves.

Sam

-----Original Message-----
From: B.D Allen [mailto:B.D.Allen_at_newcastle.ac.uk]
Sent: Sunday, July 31, 2005 6:59 AM
To: Samuel Flores
Subject: Re: vmd-l: trig functions in vmd

Hi Sam
 The following code prints out the values of sine(x) for 0<x<2pi. You just
need to use the 'expr' function for math expressions.

set pi 3.1415926535
for {set x 0} {$x < 10} {incr x} {
      puts [expr sin(2.0*$pi*$i/10)]
   }

Try googling for 'tcl expr', there's tons of stuff out there.
A good start is http://tmml.sourceforge.net/doc/tcl/expr.html.
Hope this helps.

Ben
>
> Howdy All,
>
> Can anyone tell me how to use trig functions in tcl? It's my
> understanding
> that I need mathfunc, but I can't find this library anywhere, although
> manuals for it are everywhere.
>
> Sam
>
>
>
Ben Allen
Molecular Photonics Laboratory
School of Natural Sciences
Bedson Building
University Of Newcastle Upon Tyne
Newcastle Upon Tyne
NE1 7RU

http://www.ncl.ac.uk/mpl
+44 (0)191 2226485