#!/usr/local2/bin/python2.3
# transform sdfs to mol2 and give new titles

import sys, string, os
from openeye.oechem import *
import MySQLdb

try:
    file = sys.argv[1]
except IndexError:
    print 'usage: c3_sdf2mol2_mysql_names_remove.py filename_containig_mol2_filenames(zipped does not hurt)'
    raise SystemExit()

db = MySQLdb.connect(host='newelvis.ucsf.edu',passwd='secret',db='joha')
c = db.cursor()

listfile = open(file, 'r')

for line in listfile.readlines():
    c.execute('delete from PROC_NAMES where Proc_Name like "'+line[:string.find(line ,'.mol2')]+'%"')    
    
db.close()
c.close()
listfile.close()