alphafold2的几项便利性修改。
2021-08-31 16:34 丨o聽乄雨o丨 阅读(423) 评论(0) 编辑 收藏 举报#Run alphafold2 # conda activate af2 # run_alphafold.py --fasta_paths=Test.fasta --max_template_date=2020-05-14 # run_alphafold.py --fasta_paths=N7.fasta > N7.Log 2>&1 #Changelog 1. vim /home/wangq/Programs/miniconda3/envs/af2/lib/python3.8/site-packages/absl/flags/_validators.py # annotate line 202-206 2. vim ~/Programs/alphafold2/run_alphafold.py # add !/usr/bin/env python3 3. chmod +x ~/Programs/alphafold2/run_alphafold.py 4. vim ~/Programs/alphafold2/run_alphafold.py # add time module 5. vim ./alphafold/data/tools/jackhmmer.py # change cpu:8 to cpu:20 6. vim ./alphafold/data/tools/hhblits.py # change cpu:4 to cpu:20 7. vim alphafold/common/residue_constants.py #change line 23 28 409 import subprocess AF2_PATH = subprocess.getoutput("echo $alphafold2") stereo_chemical_props_path = (f'{AF2_PATH}/alphafold/common/stereo_chemical_props.txt')
作者:丨o聽乄雨o丨
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