~~NOTOC~~ ===== sp_bfactor_plot ===== Plot B-factor : Plots number of particles versus resolution. \\ ===== Usage ===== Usage in command line: sp_bfactor_plot.py search_directory output_directory --mode=mode --groups=groups --flo=flo --display=display_exe --verbosity=verbosity --sharpendir=sharpendir --selectpattern=selectpattern --resfile=resfile --apix=apix \\ ===== Typical usage ===== The purpose of sp_bfactor_plot.py is to: : plot the number of particles versus resolution \\ __1. Standard usage: create separate stacks for each class__: sp_bfactor_plot.py search_directory output_directory --mode=2d_or_3d --groups=number_of_groups If number of groups is not specified, all classes will have the same color. If groups of classes are found, then they can be colored differently. \\ __2. 2D: Gets number of particles from params_avg* files and resolution from beautifier directories__: sp_bfactor_plot.py search_directory output_directory --mode=2d --groups=number_of_groups Specifically, program will look for a beautifier file called 'FH_list.txt' to get the resolution, and parameter files called 'params_avg*' to get the number of particles. If your files have other names, see the advanced parameters below. (The development version of the beautifier stores all information in 'FH_list.txt', and doesn't use an unrealistically optimistic resolution estimate.) [{{ :bfactor2d.png?600 |Numbers of particles vs. resolutions of two groups of classes}}] \\ __3. 3D: Gets number of particles from Meridien directories and resolution from PostRefiner directories__: sp_bfactor_plot.py search_directory output_directory --mode=3d --groups=number_of_groups Program will look for a PostRefiner file called 'log.txt' to get the resolutions, and a parameter file called 'final_params*' to get the number of particles. If your files have other names, see the advanced parameters below. Program will also attempt to fit points. [{{ ::bfactor3d.png?600 |Numbers of particles vs. resolutions of four groups of classes}}] \\ ===== Input ===== === Main Parameters === ; search_directory : Directory where input files fill be searched ; output_directory : Directory where outputs will be written. (default required string) ; %%--%%groups : Number of groups to plot. (default 1) ; %%--%%flo : Lowest resolution on plot, Angstroms. (default 7) ; %%--%%apix : pixel size (needed in 2d mode for old-style 3-column 'FH_list.txt' files). (default 'final_params*' or 'params_avg*') \\ === Advanced Parameters === ; %%--%%sharpendir : Subdirectory to look for PostRefiner resolution file. (default None) ; %%--%%selectpattern : Alignment-parameter file template, enclosed in quotes. (default None) ; %%--%%resfile : Resolution file. (default 'FH_list.txt' for 2d or 'log.txt' for 3d) \\ ===== Output ===== ; bfactor.png : Plot of Number of particles versus resolution \\ ===== Description ===== \\ ==== Method ==== \\ ==== Reference ==== Optimal determination of particle orientation, absolute hand, and contrast loss in single-particle electron cryomicroscopy. Rosenthal PB, Henderson R. J Mol Biol. 2003 Oct 31;333(4):721-45. doi: 10.1016/j.jmb.2003.07.013. \\ ==== Developer Notes ==== \\ ==== Author / Maintainer ==== Tapu Shaikh & Sabrina Pospich \\ ==== Keywords ==== Category 1:: APPLICATIONS \\ ==== Files ==== sphire/bin/sp_bfactor_plot.py \\ ==== See also ==== \\ ==== Maturity ==== Beta:: Under evaluation and testing. Please let us know if there are any bugs. \\ ==== Bugs ==== Automatic display of plots does not always work (file system not refreshed yet?). \\