linux系统,在终端直接输入运行:
for file in $(find . -name "*_pocket.pdb"); do
pdbid=$(basename "$file" | cut -c1-4)
grep -v HETATM "$file" > "${pdbid}_nowat.pdb"
done
linux系统,在终端直接输入运行:
for file in $(find . -name "*_pocket.pdb"); do
pdbid=$(basename "$file" | cut -c1-4)
grep -v HETATM "$file" > "${pdbid}_nowat.pdb"
done