[Biopython-dev] Bug in Bio.PDB?

[João Rodrigues]

Also, in addition, if you just want to save the PDB without these HETATMs,
use the Select class when saving with PDBIO.save.


2014-02-18 3:02 GMT+01:00 João Rodrigues <anaryin at gmail.com>:

> Hi Morten,
>
> This is not a "bug" per se, but a matter of changing the chain object
> while you are iterating over it. You get the same effect with this loop:
>
> >>> nums = [1,2,3,4,5,6,7,8,9,11,13,15]
> >>> for i in nums:
> ...   if i % 2 == 0:
> ...     nums.remove(i)
> ...   print i,
> ...
> 1 2 4 6 8 11 13 15
> ​
> The only options you have is to use chain.child_list (which does create a
> copy of the list and it's safe to iterate on) or just save the ids to
> remove and remove them a posteriori.
>
> Cheers,
>
> João
>