VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Mon Aug 01 2005 - 14:32:54 CDT

Hi,
  You can do this with the atomselect 'move' subcommand, or by performing
your own transformations and replacing the original coordinates with
atomselect set x (or set {x y z}) commands. These are described in the
VMD User's Guide. Let us know if you need more help.

  John Stone
  vmd_at_ks.uiuc.edu

On Sun, Jul 31, 2005 at 03:58:36PM -0400, Samuel Flores wrote:
> 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
> 

-- 
NIH Resource for Macromolecular Modeling and Bioinformatics
Beckman Institute for Advanced Science and Technology
University of Illinois, 405 N. Mathews Ave, Urbana, IL 61801
Email: johns_at_ks.uiuc.edu                 Phone: 217-244-3349
  WWW: http://www.ks.uiuc.edu/~johns/      Fax: 217-244-6078