VMD-L Mailing List

From: Axel Kohlmeyer (akohlmey_at_cmm.chem.upenn.edu)
Date: Thu Sep 14 2006 - 11:25:47 CDT

On 9/14/06, Charles McCallum <mmccallum_at_pacific.edu> wrote:
>
> On Sep 13, 2006, at 12:18 PM, Axel Kohlmeyer wrote:
>
> >
> >
> > first you need to source the vec_draw_lib.tcl script file
> > (or install the corresponding rpm from the vmd biocore)
> > that has a generic implementation of a point to point arrow.
> >
> > then you source the cavec.tcl script.
> > now you can load your file and then do.
> >
> > set casel [atomselect top {name CA}]
> > frametoframepos $casel 0 last
> >
>
> I think this should be "frametoframevec $casel 0 last", right?

of course. sorry about that.

that brings me to a short question for everybody:
do you think this script is important enough to put
into the VMD script library?

alternatively, we can have an 'unsorted bits and pieces'
folder in the VMD biocore where people can upload scripts,
that are not as generic or need to be significantly adapted,
or need some cleaning up etc.

this way, people still have a chance of getting inspiration
from existing solutions to problems, but at the same time,
there is not so much of a pressure to debug and support
the resulting script. with a bit of luck, then later somebody
and come and perhaps extend some of those and put them
into a full package and so on.

what do you think?

axel.
>
> Cheers,
>
> Mike
>
>
> --
> C. Michael McCallum http://www.pacific.edu/college/
> chemistry/McCallum/cmccallum.html
> Associate Professor
> Department of Chemistry, UOP
> mmccallum .at. pacific .dot. edu (209) 946-2636 v /
> (209) 946-2607 fax
>
>
> 

-- 
=======================================================================
Axel Kohlmeyer   akohlmey_at_cmm.chem.upenn.edu   http://www.cmm.upenn.edu
  Center for Molecular Modeling   --   University of Pennsylvania
Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323
tel: 1-215-898-1582,  fax: 1-215-573-6233,  office-tel: 1-215-898-5425
=======================================================================
If you make something idiot-proof, the universe creates a better idiot.