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pipeline:meridien:sp_higher_ord_abber [2021/03/16 10:52] aali |
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=== Main Parameters === | === Main Parameters === | ||
- | ; post_refine_folder : The user has to be provide | + | ; post_refine_folder : Post Refine Folder: Input folder is the directory where the results |
- | ; motioncorr_starfile | + | ; output_folder |
- | ; output_directory | + | ; %%--%%estimate_magnification |
- | ; %%--%%training_params | + | ; %%--%%estimate_beamtilt |
- | ; %%--%%min_no_particles | + | ; %%--%%estimate_trefoil : Also estimate trefoil : estimate 3-fold astigmatism per optics group .(default False) : %%--%%estimate_magnification==False |
+ | ; %%--%%estimate_order_aberation : Estimate | ||
+ | ; %%--%%perform_CTF_params_fit : Perform CTF parameter fitting : Perform CTF parameter fitting. (default False) : %%--%%estimate_magnification==False | ||
+ | ; %%--%%fit_defocus_micrograph : Fit defocus based on micrographs : Fit defocus based on micrographs. (default | ||
+ | ; %%--%%fit_defocus_particle | ||
+ | ; %%--%%fit_astigmatism_micrograph : Fit astigmatism based on micrographs : Fit astigmatism based on micrographs .(default False) : %%--%%estimate_magnification==False %%--%%perform_CTF_params_fit==True | ||
+ | ; %%--%%fit_astigmatism_particle : Fit astigmatism based on particles : Fit astigmatism based on particles. (default False) : %%--%%estimate_magnification==False %%--%%perform_CTF_params_fit==True | ||
+ | ; %%--%%fit_bfactor_micrograph : Fit bfactor based on micrographs : Fit bfactor based on micrographs. (default False) : %%--%%estimate_magnification==False %%--%%perform_CTF_params_fit==True | ||
+ | ; %%--%%fit_bfactor_particle : Fit bfactor based on particles : Fit bfactor based on particles. (default False) : %%--%%estimate_magnification==False %%--%%perform_CTF_params_fit==True | ||
+ | ; %%--%%fit_phase_shift_micrograph : Fit phase shift estimation | ||
+ | ; %%--%%fit_phase_shift_particle : Fit phase shift estimation for particles : Fit phase shift estimation for particles. (default False) : %%--%%estimate_magnification==False %%--%%perform_CTF_params_fit==True | ||
+ | ; %%--%%min_res_fit : minimum resolution value for fitting (A) : minimum resolution value for fitting (default 30.0) | ||
; %%--%%submission_template : Submission template for MPI command. In case of running this tool on a cluster, always a submission template. The number of MPI processors and threads in the submission template should be the same as the one specified below in the MPI procs and threads value.(default none) | ; %%--%%submission_template : Submission template for MPI command. In case of running this tool on a cluster, always a submission template. The number of MPI processors and threads in the submission template should be the same as the one specified below in the MPI procs and threads value.(default none) | ||
; %%--%%submission_command : Submission commmand for cluster (default sbatch) | ; %%--%%submission_command : Submission commmand for cluster (default sbatch) | ||
; %%--%%relion_mpirun_executable : Since there can be more than one mpirun environment installed on a workstation or on a cluster. It can be sometimes necessary to provide the relion specific mpirun executable. Just type which mpirun -a in a terminal and choose the one which relion requires. (default mpirun) | ; %%--%%relion_mpirun_executable : Since there can be more than one mpirun environment installed on a workstation or on a cluster. It can be sometimes necessary to provide the relion specific mpirun executable. Just type which mpirun -a in a terminal and choose the one which relion requires. (default mpirun) | ||
- | ; %%--%%relion_polishing_executable | + | ; %%--%%relion_ctfrefine_executable |
; %%--%%mpi_procs : The number of MPI processors used for Relion multiprocessing. For training part only one MPI processors is used. In case when running the program on cluster, the MPI processors value should be same as used in the submission template.(default 1) | ; %%--%%mpi_procs : The number of MPI processors used for Relion multiprocessing. For training part only one MPI processors is used. In case when running the program on cluster, the MPI processors value should be same as used in the submission template.(default 1) | ||
; %%--%%no_of_threads : The number of threads use during the polishing. In case when running the program on cluster, the thread value should be same as used in the submission template.(default 1) | ; %%--%%no_of_threads : The number of threads use during the polishing. In case when running the program on cluster, the thread value should be same as used in the submission template.(default 1) | ||
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=== Advanced Parameters === | === Advanced Parameters === | ||
- | ; %%--%%first_frame : The 1st frame number from where it should start. (default 1) | ||
- | ; %%--%%last_frame : The last frame number where it should end. (default -1) | ||
- | ; %%--%%bfac_minfreq : The minimum frequency range which is normally the maximum inner shell to include in enhancement. (default 20) | ||
- | ; %%--%%bfac_maxfreq : The minimum frequency range which is normally the maximum outer shell to include in enhancement. (default -1) | ||
; %%--%%mrc_reloc_folder : In case if the mrcs images were moved from original location where they were generated to a new location. Then the user has to provide a path directory link to the new location . (default none) | ; %%--%%mrc_reloc_folder : In case if the mrcs images were moved from original location where they were generated to a new location. Then the user has to provide a path directory link to the new location . (default none) | ||
===== Output ===== | ===== Output ===== | ||
- | ; shiny.star : Output star file for polishing particles. | + | ; particles_ctf_refine.star : Output star file for polishing particles. |
- | ; bdb:polished_stack | + | ; bdb:ctfrefine_stack |
; BDB2STAR : Using sphire2relion tool , the bdb stack is converted to star file so that it can be used in relion. The star file is saved in BDB2STAR folder. | ; BDB2STAR : Using sphire2relion tool , the bdb stack is converted to star file so that it can be used in relion. The star file is saved in BDB2STAR folder. | ||
- | ; PostProcess : Since the input to the tool is Post refiner directory, the tool can automatically create the necessary file in PostProcess folder which is necessary to provide for polishing. | + | ; PostProcess : Since the input to the tool is Post refiner directory, the tool can automatically create the necessary file in PostProcess folder which is necessary to provide for ctf refinement. |
===== ===== | ===== ===== |