我想阅读源码看一下alphafold2的实现细节,但是看完这个py文件里面并没有实现细节。只有对传入参数的设置,但读完代码也做一下记录。
1. 检查特定的参数:数据库文件夹、fasta文件、模板
运行main函数
if __name__ == '__main__':
flags.mark_flags_as_required([
'data_dir',
'fasta_paths',
'max_template_date',
])
app.run(main)
2. main()函数
设置数据库路径(8个)、模板路径、输出文件路径
if len(argv) > 1:
raise app.UsageError('Too many command-line arguments.')
# You can individually override the following paths if you have placed the
# data in locations other than the FLAGS.data_dir.
# Path to the Uniref90 database for use by JackHMMER.
uniref90_database_path = os.path.join(
FLAGS.data_dir, 'uniref90', 'uniref90.fasta')
# Path to the Uniprot database for use by JackHMMER.
uniprot_database_path = os.path.join(
FLAGS.data_dir, 'uniprot', 'uniprot.fasta')
# Path to the MGnify database for use by JackHMMER.
mgnify_database_path = os.path.join(
FLAGS.data_dir, 'mgnify', 'mgy_clusters_2018_12.fa')
# Path to the BFD database for use by HHblits.
bfd_database_path = os.path.join(
FLAGS.data_dir, 'bfd',
'bfd_metaclust_clu_complete_id30_c90_final_seq.sorted_opt')
# Path to the Small BFD database for use by JackHMMER.
small_bfd_database_path = os.path.join(
FLAGS.