VMD-L Mailing List

From: Justin Gullingsrud (justin_at_ks.uiuc.edu)
Date: Mon Aug 25 2003 - 10:09:54 CDT

No, it wouldn't be too hard at all. The hardest part is just building VMD,
but the documentation for that has improved substantially recently. Get
a CVS account, download the source code (both vmd and plugins), and have a
look at any of the py_xxx.C files as well as Measure.[Ch], which contains
VMD's code for doing RMS fitting.

For RMS fitting through the Tcl interface you wouldn't have to write very
much new code. The User's Guide has some examples you can cut and paste
from, and there's also a new Extensions menu in the latest pre-release
versions that help with structure alignment as well. You may want to take
a look at those before you plow ahead with writing extension code.

Cheers,
Justin

On Mon, Aug 25, 2003 at 11:02:10AM +0200, Alfredo Valles wrote:
> On Sunday 24 August 2003 4:34 am, Justin Gullingsrud wrote:
> > Hi,
> >
> > Check the Python section of the User's guide for a complete description
> > of what's available in the Python API. Right now VMD doesn't provide any
> > RMS fitting routines for Python, you would have to use the Tcl interface
> > for that.
> >
> > Cheers,
> > Justin
>
>
> Thank you very much Justin.
>
> Do you know if would be to difficult to add some python routines to vmd by
> myself?
> I know some python and C++ and for what I've seen of tcl I hate it.
>
> Best regards
>
> Alfredo 

-- 
  Justin Gullingsrud        3111 Beckman Institute        217-244-8946
  I been dropping the new science, and I be kicking the new knowledge,
  and I'm seeing to a degree that you can't get in college.  -- b.boys