Selection of trajectories for each frame for Z<a

[Otakandza Glenn]

Hello everyone,

I am a new user of Mdanalysis,

I have a system with 2 types of atoms and I would like to make a selection according to the z coordinate, that is to say a sorting according to the z axis, for each frame.

By the way I want for each frame a numpy array or a Dataframe with the selection on the condition given at z.

I have read the documentation, I have tried many things, I can't find any solution.

Is there a possibility to filter the coordinate data with MDAnalysis?

Thank you very much for your help

[Lily Wang]

Hi Otakandza,

Welcome to MDAnalysis!

Have you tried the `prop` keyword? For example, the below selection selects all atoms with an x coordinate under 5 A, y coordinate under 5, and z coordinate under Z, and updates over each frame.

u.select_atoms("prop x < 5 and prop y < 5 and prop z < 5", updating=True)

There is more about the selection language in the user guide: https://userguide.mdanalysis.org/stable/selections.html

Hope that helps!

Cheers,

Lily

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[Otakandza Glenn]

Hi Lily Wang,

Yes, I have seen and tried this syntax but I can not read all frames and all atoms of my file as mentioned in my post from a few minutes ago.

thanks a lot ,

Sincerely,

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