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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