[Biopython-dev] why HETERO-flag in residue identifier (Bio.PDB.Residue)?

Hongbo Zhu macrozhu at gmail.com
Tue Jan 25 07:19:35 UTC 2011

> > So it seems to me that hetero-flag is a bit redundant in residue
> identifier.
> > It should also be fine if hetero-flag is just given as an attribute to
> > residues  (I still need to scan all the PDB entries to confirm my claim).
> I
> > want to hear your opinions about the hetero-flag in residue identifier.
> It may be that prior to the big PDB re-mediation (clean up) this was a
> real and common problem. Certainly your investigation suggests
> this isn't the case now.

This also occurred to me. You are right, I performed the test on PDB files
after remediation. If this is the case, hetero-flag is better kept for
backward compatibility.

> Peter


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