Hi,

I am using Materials Studio 6.1.

I am trying to use script to create bond information of a large list of structure files that I have. One thing that I want to do is to create bonds between lanthanide elements with other elements from the periodic table. However, it seems like the default bonding scheme is set to "No bonding to s- and f- shell". So when I run my perl script (see below) it will not create the bonds between lanthanide elements with other elements.

I'd like to change this to "Include all elements", but not sure how to code this up in perl script that I have. Please let me know if there's a way to do this.

Thanks,

Greg

#!perl

use strict;

use warnings;

use Getopt::Long;

use MaterialsScript qw(:all);

use IO::Handle;

my \$InputFile = "";

my \$directory = "";

open(INFO, \$InputFile) or die("Could not open  file ".\$InputFile);

foreach my \$file () {

    chomp(\$file);

my \$doc = Documents->Import(\$directory.\$

file);

\$doc->MakeP1;

\$doc->CalculateBonds;

\$doc->Export(.\$file);

\$doc->Close;

\$doc->Delete;

}