推荐订阅源

下载Using EntrezDirect as noted to get structure accessions

https://www.ncbi.nlm.nih.gov/books/NBK179288/

for i in `cat all.epi.regulators.txt`
do
echo $i
esearch -db structure -query "$i [GENE]" | esummary | xtract -pattern DocumentSummary -element PdbAcc,ExpMethod,Resolution,PdbClass,PdbDepositDate,PdbDescr,string > $i.pdb_id
done

偶尔会有网络连接问题

最后再下一遍

ls *.pdb_id | sed "s/.pdb_id//" > downloaded.list

grep -vxFf downloaded.list all.epi.regulators.txt

参考：

• http://localhost:17449/lab/tree/projects/LiLab/selfDB/Drug-DB/Drug_to_gene.ipynb
• ~/projects/LiLab/selfDB/rcsb_PDB/
• https://www.biostars.org/p/9576260/