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Parameter Reference

Complete reference for all parameters accepted by image_vsample and run_parameter_sweep.


Structure Parameters

Parameter Description Notes
structure 4-letter PDB ID code, or path to a local structure file Any PDB/CIF format file
structure_is_path Treat structure as a local file path rather than a PDB ID (bool, default False)
structure_axis_euler Euler angles [α, β, γ] (degrees) to rotate the structure's principal axis before positioning Default [0, 0, 0]
structure_global_normal_orientation Assign a fixed global normal direction for all structure epitopes (list or None)
structure_format File format of the structure ("CIF" or "PDB"). Inferred from file extension when structure_is_path is True Default "CIF"

Probe Parameters

Parameter Description
probe_template Name of a pre-set probe configuration file (filename)
probe_name Optional. Alternative name to identify this probe
labelling_efficiency Probability that the probe binds a given epitope (float, default 1.0)
probe_target_type Type of target: "Sequence", "Residue", or "Primary"
probe_target_value Specific value for the target type (e.g., amino acid sequence, residue info)
probe_target_option Additional option for the probe target; used for secondary epitopes
probe_distance_to_epitope Minimum distance from probe to epitope (float)
probe_model 4-letter PDB ID for the atomic model of the probe itself
probe_fluorophore Fluorophore name for emitters (e.g., "AF647")
probe_paratope If probe_model is set, the residue anchor point of the probe
probe_conjugation_target_info If probe_model is set, dictionary specifying emitter conjugation sites
probe_DoL Degree of labelling — efficiency of fluorophore conjugation (float)
probe_secondary_epitope Amino acid sequence defining the epitope on a primary antibody model
probe_wobble_theta Enable probe angular wobble (float or None)
probe_steric_hindrance Minimum distance between adjacent epitopes (float)
peptide_motif Dictionary specifying motif extraction for probe target sequence
as_primary Treat the probe as a primary linker (bool)

Structural Integrity Parameters

Parameter Description
structural_integrity Fraction of the particle rendered inaccessible to probes (float, 0–1)
structural_integrity_small_cluster Maximum distance between epitopes for the first (small) inaccessible cluster grouping (Å)
structural_integrity_large_cluster Minimum distance between epitopes for the second (large) inaccessible cluster grouping (Å)

Virtual Sample Parameters

Parameter Description
virtual_sample_template Name of the configuration file for a virtual sample template
sample_dimensions X, Y, Z field dimensions in nanometers (list of float)
sample_inital_orientation Initial orientation applied to all labelled structures in the virtual sample (list or None)
number_of_particles Number of independent particle copies distributed in the field (int)
particle_positions Explicit list of relative particle positions (list of arrays)
random_orientations Randomly assign orientations to each particle (bool, default False)
orientation_per_particle Explicit list of orientations, one per particle
xy_orientations List of orientation directions on the XY plane to sample from
xz_orientations List of orientation directions on the XZ plane to sample from
yz_orientations List of orientation directions on the YZ plane to sample from
axial_offset List of Z offsets from the focus plane to sample from
random_placing Place particles at random positions (bool, default False)
random_rotations Apply random 3-D rotations to particles (bool, default False)
rotation_per_particle Explicit list of rotations, one per particle
rotation_angles List of rotation angles to sample from
expansion_factor Scale factor applied to the structure coordinates (float, default 1)
minimal_distance Minimum allowed distance between particles (float)
clear_probes Clear any probes already added to the experiment before adding new ones (bool, default False)
clear_experiment Fully reset the experiment object after the simulation (bool, default False)

Modalities Parameters

Parameter Description
pixelsize_nm Image pixel size in nanometers (float or int)
lateral_resolution_nm Lateral (XY) resolution in nanometers (float or int)
axial_resolution_nm Axial (Z) resolution in nanometers (float or int)
psf_voxel_nm Voxel size used to render the PSF in nanometers (float or int, default 10)
depth_of_field_nm Depth of field in nanometers (float or int)

Multi-Probe Parameters

Parameter Description
primary_probe Probe template name for the primary label in indirect labelling
secondary_probe Probe template name for the secondary label in indirect labelling
probe_list List of probe configuration dictionaries for adding multiple probes in a single call
as_primary Treat this probe as a primary linker target for a secondary probe (bool)

Reproducibility

Parameter Description
random_seed Integer seed passed to numpy.random.seed before any stochastic step (int or None)

Acquisition Parameters

Parameter Description
exp_time Exposure time in seconds (float)
noise Include photon and detector noise in the simulation (bool)
nframes Number of frames to simulate (int)