VMD-L Mailing List

From: Akshay Bhatnagar (akshaybhatnagar2790_at_gmail.com)
Date: Sun Aug 21 2016 - 21:23:15 CDT

Dear all

I want to find the residues within 5 angstroms distance around "FE" atom in
20 pdb files. Instead of loading the files one by one i am trying to
acheive this through tcl script. But, the "within" command in not working
on the tkconsole. My script is:

set filelist [glob *.PDB]
  foreach file $filelist {
    mol new $file
set name [file rootname $file]
set selp ["within 5 of type FE"]
$selp writepdb $name_FE.pdb
}

Can someone please help!!.

Thank you very much

With Regards
Akshay Bhatnagar
PhD Student
BITS Pilani Hyderabad Campus