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FrangakisLab / ArtiaX

ArtiaX is an open-source extension of the molecular visualisation program ChimeraX.
https://frangakis.biophysik.org/
GNU General Public License v3.0
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Feature request: Save particles sampled from different surfaces to the same particle list #19

Open dmichalak opened 3 months ago

dmichalak commented 3 months ago

I can't find if this functionality already exists but...

Currently, to reproduce the "issue"

  1. Place markers with which to generate a surface (i.e. a "Boundary").
  2. Generate the surface and sample points on the surface. I chose to distribute points according to a Poisson disk distribution with radius 100 A.

This will create a new particle list containing the sampled points.

  1. Repeat 1. and 2. for another surface within the same tomogram.

This will create another particle list containing the sampled points from the second surface.

A possible solution would be to allow save _filename_ partlist _model-spec_ to save multiple lists to a single file. Right now, trying something like save ./my_particle_lists.star partlist #1.2.3-4 gives an error:

Invalid "partlist" argument: Must specify 1 model, got 2

As far as I can tell, the only workaround is to save each separately and combine them with a custom script outside of ChimeraX.