Hi @Eike ,
Glad that our 3DVA job is coming in handy! You can indeed extract and manipulate the raw data for each of the components. The raw data is found in the ‘{…}_particles.cs’ cryoSPARC file that’s located in the 3DVA job folder. You can import this file via a Dataset()
object through our interactive Python shell (or a separate script/notebook) and then extract the reaction coordinates for each particle using the components_mode_X/value
key. Here’s an example script that will extract two of the components as NumPy arrays, which you can then plot/export as necessary:
#Launch cryoSPARC’s interactive Python shell
cryosparcm icli
# … in the shell
#1. Import necessary modules
from cryosparc_compute import dataset
#2. Load particles
# Modify as necessary
cs_file_path = ‘./P167/J42/cryosparc_P167_J42_particles.cs’
particle_dataset = dataset.Dataset()
particle_dataset.from_file(cs_file_path)
#3. Extract components
c0 = particle_dataset.data['components_mode_0/value'] #(N,) numpy array
c1 = particle_dataset.data['components_mode_1/value'] #(N,) numpy array
#… etc.
You can find more information about .cs files in our ‘Manipulating .cs Files’ tutorial.
Hope that helps!
Valentin