Bsoft program

bsim

Usage: bsim [options] in.star [in2.star]

Simulates TEM images from atomic coordinates.
The program has different entry and exit points: A new STAR file can be generated (use -generate or -symmetry option and no input STAR file) or parameters can be read in from existing STAR files. The provision of a coordinate file leads to calculation of potential slices.

Input of STAR file(s) without a coordinate file implies that the potentials

have already been calculated and will be used for multislice simulation.

Actions:

-generate 10,3,50Generate a project, specifying number of fields, number of
micrographs per field and number particles per micrograph.
-symmetry C5Generates images based on a grid in the asymmetric unit.
-coordinates file.pdbInput coordinate file, generate simulated images in project.
-imageGenerate a final image and parameter file (default not).
-poissonAdd poisson noise (default not).
-gaussian 0.2Add gaussian noise with the given signal-to-noise ratio.
-MTF 17.5Set the MTF decay constant (required to impose MTF).

Parameters:

-verbose 7Verbosity of output.

Parameters for generation:

-translate 2.4Standard deviation for random translation (default 0).
-origin 120Set the particle image origin (default 50 pixels).
-angles 8,6Step sizes for theta and phi in the asymmetric unit, one value sets both.
Use with the -symmetry option (default 10,10).
-Pixelsize 5.5Set the particle pixel size (default 1 angstrom/pixel).
-electrondose 35.5Set the electron dose (default 20 electrons/angstrom).
-Cs 2.0Set the spherical aberration, Cs (default 2 mm).
-Cc 2.0Set the chromatic aberration, Cc (default 2.0 mm).
-alpha 0.15Set the illumination half-angle (default 0.1 milliradians).
-energyspread 2e-5Set the effective energy spread (default 1e-5).
-Volt 100Set the acceleration voltage (default 120 kV).
-Amplitude 0.07Set the amplitude contrast (fraction, default 0.07).
-Defocus 0.5,3.4Defocus range (required to apply CTF).
-fieldbasename fieldField-of-view base name (default field).
-fieldnumber 5Field starting number (default 1).
-mgbasename mgMicrograph base name (default mg).
-mgnumber 23Micrograph starting number (default 1).
-partbasename partParticle base name (default part).
-partnumber 158Particle starting number (default 1).

Parameters for simulation:

-fieldname fieldField-of-view name (for selecting a specific field).
-mgname mgMicrograph base name (for selecting a specific micrograph).
-partselect 132Particle selection for potential generation (default all).
-type realType of potential calculation (default reciprocal, other gauss).
-size 100,80,120Size of enclosing box (default based on input coordinates).
-thickness 20Slice thickness in angstrom (default 10 A).
-resolution 8.5Resolution limits (default Nyquest frequency).
-Bfactor 24.5Set the overall temperature factor (default 0 A^2).

Input:

-parameters param.starParameter file name for electron scattering curves (default atom_prop.star).
-Water water.pdbBlock of water to embed the molecule into (default none).

Output:

-output mg.starParameter file (use with generate option).

Bsoft version 2.0.7-20200917 (64 bit)


Generated by bdoc.pl on Mon Oct 26 08:20:11 2020


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