~~NOTOC~~ ===== sp_pipe angular_distribution ===== Angular Distribution: Generate a chimera .bild file for the visual representation of the resulting projection parameters. \\ ===== Usage ===== Usage in command line sp_pipe.py angular_distribution params_file output_folder --prefix=None --method=S --pixel_size=1.0 --delta=3.75 --symmetry=c1 --box_size=256 --particle_radius=120 --dpi=72 \\ ===== Typical usage ===== sp_pipe angular distribution does not support MPI. Bild files created with small delta values might crash chimera session depending on the computer available memory. Do angular distribution to generate a chimera .bild file based on the projection parameters stored in params_file. sp_pipe.py angular_distribution params_file output_folder By default, the resulting .bild file has the same name as the params_file. Use the --prefix option to change the name. sp_pipe.py angular_distribution params_file output_folder --prefix=my_name Adjust the pixel_size, box_size and particle_radius values if the .bild file will be opened together with the structure in chimera. sp_pipe.py angular_distribution params_file output_folder --pixel_size=1.14 --box_size=120 --particle_radius=50 To adjust the number of bins used in the 3D histogram, use the --delta option. However, using small delta values might crash chimera session depending on the computers available memory. sp_pipe.py angular_distribution params_file output_folder --delta=1.875 Next to the bild file, a .png legends file will be created, that translates the bin color into real particle numbers. With the --dpi option, one can adjust the quality of the plot. sp_pipe.py angular_distribution params_file output_folder --dpi=300 \\ ===== Input ===== === Main Parameters === ; params_file : Projection parameters : File containing the 3D projection parameters (default required string) ; output_folder : Output directory: Output folder name (default required string) ; %%--%%prefix : File prefix : Prefix for the output files - None uses the same name as the params file - Existing files will be overwritten (default none) ; %%--%%symmetry : Point-group symmetry: Symmetry to be applied to 3D reconstruction (default c1) \\ === Advanced Parameters === ; %%--%%pixel_size : Pixel size [A] : Pixel size of the project (default 1.0) ; %%--%%delta : Angular sampling step [Degrees] : Angular step size in degree - Low deltas combined with low symmetry might crash chimera session (default 3.75|||15|||7.5|||1.875|||0.9375|||0.46875|||0.234375) ; %%--%%box_size : Particle box size [Pixels] : Box size (default 256) ; %%--%%particle_radius : Particle radius [Pixels] : Particle radius (default 120) ; %%--%%method : Distribution method : Method used to create the reference angles (S or P or M) (default S|||M|||P)::M|||P|||S;Advanced ; %%--%%dpi : Plot DPI : Dpi for the legend plot (default 72) \\ ===== Output ===== === List of output Files === || **File Name** || **Discription** || || output_directory/prefix.bild || 3D histogram that can be opened in UCSF chimera. || || output_directory/prefix.png || 2D histogram that correlates the bin color with the real particle number. || || output_directory/prefix.txt || Text file containing the 2D histogram data points. || \\ ===== Description ===== This program overwrites existing output_folder/prefix combinations. \\ ==== Method ==== \\ ==== Reference ==== \\ ==== Developer Notes ==== === 2018/08/09 Markus Stabrin === * High symmetries take about 1-2 minutes. * Low delta values might crash the chimera session. \\ ==== Author / Maintainer ==== Markus Stabrin \\ ==== Keywords ==== Category 1:: APPLICATIONS \\ ==== Files ==== sphire/bin/sp_pipe.py \\ ==== See also ==== [[pipeline:meridien:sp_meridien|sp_meridien]]. \\ ==== Maturity ==== Alpha:: Under development. \\ ==== Bugs ==== There are no known bugs so far. \\