File: opsin_001.sh

package info (click to toggle)
smiles-scripts 0.3.0%2Bsvn878%2Bbranch%2Bsystem%2Bdeps-2
  • links: PTS, VCS
  • area: main
  • in suites: forky, sid, trixie
  • size: 3,860 kB
  • sloc: perl: 1,889; java: 1,218; sh: 1,092; makefile: 246
file content (14 lines) | stat: -rwxr-xr-x 261 bytes parent folder | download 
1
2
3
4
5
6
7
8
9
10
11
12
13
14
 
#!/usr/bin/perl

use strict;
use warnings;

use SmilesScripts::OPSIN;

my $opsin = SmilesScripts::OPSIN->new;

local $\ = "\n";
for ('benzene', 'milk', 'picene') {
    my $SMILES = $opsin->IUPAC_to_SMILES( $_ );
    print defined $SMILES ? $SMILES : 'undef';
}