VMD-L Mailing List

From: VISWANADHA SRIDHARA (vsrid001_at_odu.edu)
Date: Thu Nov 03 2005 - 16:21:15 CST

Hi everyone ,
John sent me this code few days back, and Its running absolutely well for
me to analyze some data.

  set f [open "foo.dat" w]
 set sel [atomselect top "water and exwithin 3 of protein"]
 set residlist [lsort -unique -integer [$sel get resid]]
 foreach idx $residlist {
   puts $f "$idx"
 }
 close $f

I have one quick question.

I want to write some text in the first line of this foo.dat file, before I
save the residue numbers....
e.g., my foo.dat now is a column having integers, I want to add a
line(characters like...
[A[expr $i]] before I store a column, I know its very simple question, but
I am just not familiar with these kind of languages.......Can anyone tell
me how to do it?

Thanks in advance ....
Vissu