pdb protein bank format - ligand removal -


i remove various ligands pdb records. sufficient remove het, hetnam,hetatm...., ie. those, compound identified 3letter code, or necessary clean other fields?

is there python|perl script written purpose?

open(file,"file.pdb"); @file=<file>; foreach (@file){ if (/^hetatm/){ print $_,"\n"; }} 

this seperates out ligand. delet ligand, keep not equal infront of regex.


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