[Chimera-users] Chimera cannot read multi-molecules .xyz files in

Francois Berenger berenger at edu.k.u-tokyo.ac.jp
Sun Apr 9 19:26:44 PDT 2023


It would be nice if a multiple-molecule file can be read as a (coordinates
only) MD trajectory.

On Sat, Apr 8, 2023 at 2:21 AM Eric Pettersen <pett at cgl.ucsf.edu> wrote:

> Hi Francois,
> There is no formal XYZ file format definition.  Chimera reads the format as
> described in Wikipedia <https://en.wikipedia.org/wiki/XYZ_file_format>,
> which only allows for one molecule per file.
>
> --Eric
>
> Eric Pettersen
> UCSF Computer Graphics Lab
>
>
> On Apr 6, 2023, at 9:09 PM, Francois Berenger via Chimera-users <
> chimera-users at cgl.ucsf.edu> wrote:
>
> Dear list,
>
> I can read one molecule fine in .xyz format using chimera.
>
> However, if my .xyz file has several molecules (like a MD trajectory),
> chimera fails to read it in.
>
> Is there planned support for MD trajectories given as .xyz file?
>
> I have chimera-1.16.
> I shall test with ChimeraX very soon.
>
> Regards,
> F.
>
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