VMD-L Mailing List

From: Axel Kohlmeyer (akohlmey_at_cmm.chem.upenn.edu)
Date: Tue Jan 20 2009 - 08:49:21 CST

On Tue, 20 Jan 2009, varsha gautham wrote:

VG> Hello,
VG>
VG> I just now started with TCL scripting.And it will be helpful if someone
VG> tell me how to write a TCL script for the following queries.?

varsha,

the best way of writing scripts that do what you want to do
is to follow two steps:

1) learn the tcl language first. tcl 8.5 now comes with a very nice
   tutorial. http://www.tcl.tk/man/tcl8.5/tutorial/tcltutorial.html
   ... and take your time. it will be worth it.

2) follow the VMD scripting tutorials. they contain examples and
   solutions and you'll learn how to think the "VMD way".

rushing ahead will get you a solution to those - rather trivial -
problems faster, but you won't really learn that much and once
you move up to more complicated scripts, you will really appreciate
having learned the fundamentals well. debugging tcl is not trivial
but a good knowledge of tcl avoids an enormous amount of bugs.

cheers,
   axel.

VG> Given a ubiquitin protein ,
VG>
VG> 1.what is the end-to-end distance ( c-terminal and N-termnal) distance of
VG> ubq and how does it change with time?
VG> 2. what is the total charge of the protein?.
VG>
VG> Thanks in advance
VG>
VG> Varsha gautham
VG> 

-- 
=======================================================================
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.