feat(digger): containerize BtToxin_Digger with v5 database integration
- Added Dockerfile and docker-compose.yml for BtToxin_Digger - Integrated external v5 BLAST database into the container image - Updated main docker-compose.yml to include the digger service - Updated documentation with database update instructions
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bttoxin_digger_v5_repro/external_dbs/bt_toxin/db/bt_toxin.pdb
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bttoxin_digger_v5_repro/external_dbs/bt_toxin/db/bt_toxin.pdb
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bttoxin_digger_v5_repro/external_dbs/bt_toxin/db/bt_toxin.phr
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bttoxin_digger_v5_repro/external_dbs/bt_toxin/db/bt_toxin.phr
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bttoxin_digger_v5_repro/external_dbs/bt_toxin/db/bt_toxin.pin
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bttoxin_digger_v5_repro/external_dbs/bt_toxin/db/bt_toxin.pin
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{
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"version": "1.2",
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"dbname": "bt_toxin",
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"dbtype": "Protein",
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"db-version": 5,
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"description": "bt_toxin20251104.fas",
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"number-of-letters": 996368,
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"number-of-sequences": 1199,
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"last-updated": "2025-11-04T15:35:00",
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"number-of-volumes": 1,
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"bytes-total": 1149077,
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"bytes-to-cache": 1007264,
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"files": [
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"bt_toxin.pdb",
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"bt_toxin.phr",
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"bt_toxin.pin",
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"bt_toxin.pot",
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"bt_toxin.psq",
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"bt_toxin.ptf",
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"bt_toxin.pto"
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]
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}
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bttoxin_digger_v5_repro/external_dbs/bt_toxin/db/bt_toxin.pot
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bttoxin_digger_v5_repro/external_dbs/bt_toxin/db/bt_toxin.pot
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bttoxin_digger_v5_repro/external_dbs/bt_toxin/db/bt_toxin.psq
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bttoxin_digger_v5_repro/external_dbs/bt_toxin/db/bt_toxin.psq
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bttoxin_digger_v5_repro/external_dbs/bt_toxin/db/bt_toxin.ptf
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bttoxin_digger_v5_repro/external_dbs/bt_toxin/db/bt_toxin.ptf
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bttoxin_digger_v5_repro/external_dbs/bt_toxin/db/bt_toxin.pto
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bttoxin_digger_v5_repro/external_dbs/bt_toxin/db/bt_toxin.pto
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bttoxin_digger_v5_repro/external_dbs/bt_toxin/seq/bt_toxin20200321
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bttoxin_digger_v5_repro/external_dbs/bt_toxin/seq/bt_toxin20200321
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bttoxin_digger_v5_repro/external_dbs/bt_toxin/seq/bt_toxin20200401
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bttoxin_digger_v5_repro/external_dbs/bt_toxin/seq/bt_toxin20200401
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bttoxin_digger_v5_repro/external_dbs/bt_toxin/seq/bt_toxin20200730.txt
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bttoxin_digger_v5_repro/external_dbs/bt_toxin/seq/bt_toxin20200730.txt
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bttoxin_digger_v5_repro/external_dbs/bt_toxin/seq/bt_toxin20210607.fas
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bttoxin_digger_v5_repro/external_dbs/bt_toxin/seq/bt_toxin20210607.fas
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bttoxin_digger_v5_repro/external_dbs/bt_toxin/seq/bt_toxin20210802.fas
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bttoxin_digger_v5_repro/external_dbs/bt_toxin/seq/bt_toxin20210802.fas
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bttoxin_digger_v5_repro/external_dbs/bt_toxin/seq/bt_toxin20211011.fas
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bttoxin_digger_v5_repro/external_dbs/bt_toxin/seq/bt_toxin20211011.fas
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bttoxin_digger_v5_repro/external_dbs/bt_toxin/seq/bt_toxin20211227.fas
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bttoxin_digger_v5_repro/external_dbs/bt_toxin/seq/bt_toxin20211227.fas
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bttoxin_digger_v5_repro/external_dbs/bt_toxin/seq/bt_toxin20220128.fas
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bttoxin_digger_v5_repro/external_dbs/bt_toxin/seq/bt_toxin20220128.fas
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bttoxin_digger_v5_repro/external_dbs/bt_toxin/seq/bt_toxin20220609.fas
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bttoxin_digger_v5_repro/external_dbs/bt_toxin/seq/bt_toxin20220609.fas
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bttoxin_digger_v5_repro/external_dbs/bt_toxin/seq/bt_toxin20221208.fas
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bttoxin_digger_v5_repro/external_dbs/bt_toxin/seq/bt_toxin20221208.fas
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bttoxin_digger_v5_repro/external_dbs/bt_toxin/seq/bt_toxin20251104.fas
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bttoxin_digger_v5_repro/external_dbs/bt_toxin/seq/bt_toxin20251104.fas
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def get_unique_headers(file_path):
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"""读取文件中以'>'开头的行,返回'>'后面内容的集合"""
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headers = set()
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with open(file_path, 'r') as f:
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for line in f:
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line = line.strip()
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if line.startswith('>'):
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# 提取'>'后面的内容(包括可能的空格和其他字符)
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header = line[1:]
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headers.add(header)
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return headers
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# 输入文件路径
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file1 = 'bt_toxin20251104.fas'
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file2 = 'all_app_cry_cyt_gpp_mcf_mpf_mpp_mtx_pra_prb_spp_tpp_txp_vip_vpa_vpb_xpp_fasta_sequences.txt'
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output_file = 'unique_headers.txt'
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# 获取两个文件中的header集合
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headers1 = get_unique_headers(file1)
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headers2 = get_unique_headers(file2)
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# 计算各自独有的header
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unique_to_file1 = headers1 - headers2
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unique_to_file2 = headers2 - headers1
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# 写入输出文件
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with open(output_file, 'w') as out_f:
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out_f.write(f"### Unique headers in {file1} ###\n")
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for header in sorted(unique_to_file1):
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out_f.write(f">{header}\n")
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out_f.write(f"\n### Unique headers in {file2} ###\n")
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for header in sorted(unique_to_file2):
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out_f.write(f">{header}\n")
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print(f"处理完成,结果已保存至 {output_file}")
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