[Biopython] Conformation assignment

[Navid Shervani-Tabar]

Thanks João!

Best,
Navid

On Wed, Sep 16, 2020 at 1:11 PM João Rodrigues <
j.p.g.l.m.rodrigues at gmail.com> wrote:

> Dear Navid,
>
> Biopython does include parsers for trajectories, nor are our data
> structures appropriate for that type of data. I'd recommend MDanalysis or
> mdtraj for that! You can always dump frames in pdb and then parse with
> Biopython.
>
> Cheers,
>
> João
>
> A quarta, 16/09/2020, 09:35, Navid Shervani-Tabar <nshervt at gmail.com>
> escreveu:
>
>> Dear biopython experts,
>>
>> I have a trajectory of alanine dipeptide molecule (from
>> https://markovmodel.github.io/mdshare/ALA2/#alanine-dipeptide) and would
>> like to save the conformation label (alpha_L, alpha_R, beta, etc) at each
>> timestep. I was wondering if biopython can do this. I have two files
>> available: 1) .pdb file and 2) .xtc file. Thanks!
>>
>> Best,
>> Navid
>> _______________________________________________
>> Biopython mailing list  -  Biopython at mailman.open-bio.org
>> https://mailman.open-bio.org/mailman/listinfo/biopython
>
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://mailman.open-bio.org/pipermail/biopython/attachments/20200916/c3a29d6a/attachment.htm>