files.txt

背景：中药有效果是有目共睹的，中药中的化合物是繁多的，已经提示了我们可以多靶标治疗。

从中药中寻找活性化合物，是新药发现的一种手段。

tcmsp网站，http://tcmspnw.com/login_clearSession

作为一个开源网站，可以提供化合物的单个下载。

据说今后也会提供下载包，批量下载的。

现在我和以及以前的师姐等不及了，所以就自己写了脚本从网站上不这些分子下载下来。

方法：downtcm.pl

downtcm.pl

需要用到files.txt

++++++++++++++++++++++++++++++++

#!/usr/bin/perl -w
use strict;
use LWP;

use HTTP::Request::Common qw ( POST  GET);

#FUNCTION:  to download all the molecue in the tcmsp website
#author:  chenzhaoqiang 744891290@qq.com
#need input file:files.txt
#version1

my $browser=LWP::UserAgent->new(cookie_jar=>{});

$browser->requests_redirectable;

$browser->agent("MyApp/0.1");

my $username='tcmspuser';
my $password='tcmspuser';

my $req=POST('http://tcmspnw.com/login_login',['user.userComments'=>$username,'user.userPassword'=>$password]);

my $res=$browser->request($req);

$req=GET('http://tcmspnw.com/download?moleculeDownload=zhx_yzhh_Molecule219');
$res=$browser->request($req);
 if ($res->is_success) {
     print $res->content;
 }
 else {
     print $res->status_line, "\n";
 }
 
 #test success
 

#TO write a loop,to batch download chemical molecule
my $baseurl='http://tcmspnw.com/download?moleculeDownload=';
my @ids=(0..999);
my $filebasename;
my $filename;
open FH,"f:/chenzhaoqiang/files.txt";
while(<FH>)
{
chomp;
$filebasename=$_;
push @ids,"";
foreach my $id(@ids)
 {
#print "$id\n";
$filename=$filebasename.$id.'.mol2';
my $totalurl=$baseurl.$filebasename.'_Molecule'.$id;
print $totalurl,"\n";
$req=GET($totalurl);
$res=$browser->request($req);
    if ($res->content!~/Sorry\,File not found /)
    {
    open FF,">F:/downtcm/$filename";
     print FF $res->content;
     }
    else
    {
     print $res->status_line, "\n";
     }
 }
}
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
=pod
#http://tcmspnw.com/login_login
#open FH,"F:/files.txt";

my $baseurl='http://tcmspnw.com/download?moleculeDownload=';
my $fileclass='zhx_yzhh_Molecule';
my $fileid='219';

my @ids=(1..999);

foreach my $id(@ids)
{
#print "$id\n";
my $totalurl=$baseurl.$fileclass.$id;
print $totalurl,"\n";
#  my $content=getstore($totalurl,$id);
#  print $content,"n";
}

=cut