我创建了一个脚本,可以在 XML 格式的 Blastx 输出文件中成功搜索关键字(由用户指定)。现在,我需要将对齐标题中包含关键字的那些记录(查询、命中、分数、evalue 等)写入新文件。
我为每个查询标题、命中标题、电子值和对齐长度创建了单独的列表,但似乎无法将它们写入新文件。
问题 #1:如果 Python 出错,并且其中一个列表缺少值……怎么办?然后所有其他列表将提供有关查询的错误信息(“线滑点”,如果您愿意的话......)。
问题 #2:即使 Python 没有错误,并且所有列表的长度相同,我如何将它们写入文件,以便每个列表中的第一项相互关联(因此,项目 #10 来自每个列表也关联?)我应该创建一个字典吗?
问题#3:字典只有一个键值,如果我的查询有几个不同的命中怎么办?不确定它是否会被覆盖或跳过,或者它是否会出错。有什么建议么?我当前的脚本:
from Bio.Blast import NCBIWWW from Bio.Blast import NCBIXML import re #obtain full path to blast output file (*.xml) outfile = input("Full path to Blast output file (XML format only): ") #obtain string to search for search_string = input("String to search for: ") #open the output file result_handle = open(outfile) #parse the blast record blast_records = NCBIXML.parse(result_handle) #initialize lists query_list=[] hit_list=[] expect_list=[] length_list=[] #create 'for loop' that loops through each HIGH SCORING PAIR in each ALIGNMENT from each RECORD for record in blast_records: for alignment in record.alignments: #for description in record.descriptions??? for hsp in alignment.hsps: #for title in description.title??? #search for designated string search = re.search(search_string, alignment.title) #if search comes up with nothing, end if search is None: print ("Search string not found.") break #if search comes up with something, add it to a list of entries that match search string else: #option to include an 'exception' (if it finds keyword then DOES NOT add that entry to list) if search is "trichomonas" or "entamoeba" or "arabidopsis": print ("found exception.") break else: query_list.append(record.query) hit_list.append(alignment.title) expect_list.append(expect_val) length_list.append(length) #explicitly convert 'variables' ['int' object or 'float'] to strings length = str(alignment.length) expect_val = str(hsp.expect) #print ("\nquery name: " + record.query) #print ("alignment title: " + alignment.title) #print ("alignment length: " + length) #print ("expect value: " + expect_val) #print ("\n***Alignment***\n") #print (hsp.query) #print (hsp.match) #print (hsp.sbjct + "\n\n") if query_len is not hit_len is not expect_len is not length_len: print ("list lengths don't match!") break else: qrylen = len(query_list) query_len = str(qrylen) hitlen = len(hit_list) hit_len = str(hitlen) expectlen = len(expect_list) expect_len = str(expectlen) lengthlen = len(length_list) length_len = str(lengthlen) outpath = str(outfile) #create new file outfile = open("__Blast_Parse_Search.txt", "w") outfile.write("File contains entries from [" + outpath + "] that contain [" + search_string + "]") outfile.close #write list to file i = 0 list_len = int(query_len) for i in range(0, list_len): #append new file outfile = open("__Blast_Parse_Search.txt", "a") outfile.writelines(query_list + hit_list + expect_list + length_list) i = i + 1 #write to disk, close file outfile.flush() outfile.close print ("query list length " + query_len) print ("hit list length " + hit_len) print ("expect list length " + expect_len) print ("length list length " + length_len + "\n\n") print ("first record: " + query_list[0] + " " + hit_list[0] + " " + expect_list[0] + " " + length_list[0]) print ("last record: " + query_list[-1] + " " + hit_list[-1] + " " + expect_list[-1] + " " + length_list[-1]) print ("\nFinished.\n")