VMD-L Mailing List
From: Olya Kravchenko (ovkrav_at_gmail.com)
Date: Thu Aug 18 2016 - 14:54:16 CDT
this is probably a simple thing, but I can't figure out how to write a
selection correctly. I would like to print out indices for all CA
atoms in certain chains in my pdb file. Here is a selection that I
set sel [atomselect top "chain A B C and name CA]
(or $sel get index)
Then when printed all indices are shifted by 1 from the number it
supposed to be. The line in the pdb file looks like this:
ATOM 5 CA THR A 1 60.252 86.999 118.788 0.00 0.00 A
ATOM 19 CA SER A 2 62.852 89.569 117.619 0.00 0.00 A
and so on, but the numbers I get printed out in the tcl shell are like this:
4 18 ... etc.
So when I call list or index the atoms are numbered starting from 0.
Is there a way to make atomselect print the actual index (in my case.
5, 19... and so on) ?
Thanks in advance!