[Biopython-dev] Slight suggestion for PDBIO

[David Cain]

I failed to mention this sooner, but I'm an enthusiastic proponent of what
you've done. Your new set_structure() would  be immensely helpful to me, as
I've been using some workarounds to achieve the functionality you've
implemented.

Personally, I think a unit test would be really helpful in ensuring
chain-less residues and the like will save appropriately.



David Cain
+1 (339) 222 4452


On Tue, Feb 26, 2013 at 2:39 PM, João Rodrigues <anaryin at gmail.com> wrote:

> There's some discussion about some implementation details:
>
>
> https://github.com/JoaoRodrigues/biopython/commit/cd86f3c8f4216d59440f4eaf8ac3ba2ab05d8eb4
>
> What does everyone else think?
>
> Thanks for the input btw. Should I make a test too? I reckon it would be a
> good thing to add?
>
>
> 2013/2/26 Eric Talevich <eric.talevich at gmail.com>
>
> > On Tue, Feb 26, 2013 at 11:14 AM, João Rodrigues <anaryin at gmail.com
> >wrote:
> >
> >> Hello all,
> >>
> >> I've modified slightly PDBIO to allow writing of any object of our PDB
> >> representation. Right now it accepts only Models or Structures (IIRC)
> and
> >> sometimes it's useful to have only a chain or a residue written. I've
> >> added
> >> a layer of code that builds the "missing" parts using StructureBuilder.
> >>
> >> I pushed it to a branch in my github account:
> >>
> >> https://github.com/JoaoRodrigues/biopython/tree/pdbio
> >>
> >> I've been using it for a while now so often I completely forgot about
> it..
> >> Only noticed when I changed computers and the version there could not
> >> handle this. So I guess it should be solid enough.
> >>
> >>
> > Awesome. I support the idea. Could you do a pull request, so TravisCI
> runs
> > the tests automatically?
> >
> > -Eric
> >
>
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