コード例 #1
0
    #shutil.move(group_param_move,output_dir)

    try:
        shutil.move(file_without_duplicates, output_dir)

    except:
        pass

    shutil.move(filein[:-4] + '_summary.txt', output_dir)

    path = os.getcwd()
    os.chdir(output_dir)

    end = time.time()
    processing = (end - start) / 60
    #print timing(processing)
    #print "\n"

    gnuplot = params['plotting']
    if gnuplot == 'on':
        #print '\n------------> Histograms have been computed by GnuPlot\n'
        Plotting.logp_parsing(ligand_amount)
        Plotting.mw_parsing(ligand_amount)
        Plotting.psa_parsing(ligand_amount)
        Plotting.rigid_parsing(ligand_amount)
        Plotting.rotatable_parsing(ligand_amount)
        Plotting.HBD_parsing(ligand_amount)
        Plotting.HBA_parsing(ligand_amount)
        Plotting.Rings_parsing(ligand_amount)
        os.chdir(path)