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eman2:programs_e2refine [2025/07/06 11:43] – created steveludtkeeman2:programs_e2refine [2025/07/06 16:17] (current) steveludtke
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 ===== e2refine ===== ===== e2refine =====
  
-This program is the heart of single particle reconstruction in EMAN2. It embodies the concept of an iterative 3-D single particle reconstruction in a single step, starting with a [[EMAN2:Programs/e2initialmodel|3-D starting model]] and a set of preprocessed particle data. The overall strategy is similar to that used in [[EMAN1]], with a number of improvements for speed and accuracy. The general idea is that the 3-D orientation of each particle is determined by comparison to a set of projections of the current 3-D model. Particles in near-identical orientations are then aligned and averaged in 2-D. These averages are then used to construct a new 3-D model, which is then reprojected for use in the next cycle of refinement. This process of reference-based classification is somewhat unique to EMAN, and is one reason why it can converge so rapidly to the correct answer even with a poor starting model. +This program is the heart of single particle reconstruction in EMAN2. It embodies the concept of an iterative 3-D single particle reconstruction in a single step, starting with a [[EMAN2:Programs:e2initialmodel|3-D starting model]] and a set of preprocessed particle data. The overall strategy is similar to that used in [[EMAN1:]], with a number of improvements for speed and accuracy. The general idea is that the 3-D orientation of each particle is determined by comparison to a set of projections of the current 3-D model. Particles in near-identical orientations are then aligned and averaged in 2-D. These averages are then used to construct a new 3-D model, which is then reprojected for use in the next cycle of refinement. This process of reference-based classification is somewhat unique to EMAN, and is one reason why it can converge so rapidly to the correct answer even with a poor starting model. 
  
-EMAN2 refinement has many more options than EMAN1, and permits much more precise control over the refinement process. This can be both a blessing and a curse. We suggest launching your refinements from the [[EMAN2:Programs/e2workflow|workflow interface]] which simplifies specifying all of the necessary options. For those in search of detail, we document everything here. +EMAN2 refinement has many more options than EMAN1, and permits much more precise control over the refinement process. This can be both a blessing and a curse. We suggest launching your refinements from the [[EMAN2:Programs:e2workflow|workflow interface]] which simplifies specifying all of the necessary options. For those in search of detail, we document everything here. 
  
 ==== Command Line Arguments ==== ==== Command Line Arguments ====
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 || ||--mass||float||The mass of the particle in kilodaltons, used to run normalize.bymass. If unspecified nothing happens. Requires the --apix argument.|| || ||--mass||float||The mass of the particle in kilodaltons, used to run normalize.bymass. If unspecified nothing happens. Requires the --apix argument.||
 || ||--apix||float||The angstrom per pixel of the input particles. This argument is required if you specify the --mass argument. If unspecified, the convergence plot is generated using either the project apix, or an apix of 1.|| || ||--apix||float||The angstrom per pixel of the input particles. This argument is required if you specify the --mass argument. If unspecified, the convergence plot is generated using either the project apix, or an apix of 1.||
-|| ||--sym||string||[[EMAN2:Modular/Symmetry|Symmetry]] to be imposed throughout: c<n>, d<n>, h<n>, tet, oct, icos. Omit this option or specify 'c1' for asymmetric reconstructions. ||+|| ||--sym||string||[[EMAN2:Symmetry|Symmetry]] to be imposed throughout: c<n>, d<n>, h<n>, tet, oct, icos. Omit this option or specify 'c1' for asymmetric reconstructions. ||
 || ||--lowmem||bool||Make limited use of memory when possible. Slight speed penalty.|| || ||--lowmem||bool||Make limited use of memory when possible. Slight speed penalty.||
 ||-P||--parallel||string||Run in parallel, specify type:<option>=<value>:<option>:<value>. See [[EMAN2:Parallel]]|| ||-P||--parallel||string||Run in parallel, specify type:<option>=<value>:<option>:<value>. See [[EMAN2:Parallel]]||
  
 === Options related to making projections === === Options related to making projections ===
-See also [[EMAN2:Programs/e2project3d]] +See also [[EMAN2:Programs:e2project3d]] 
-|| ||--projector||string||[[EMAN2:Modular/Projectors|Projector]] to use. 'standard' is the default|| +|| ||--projector||string||[[EMAN2:Modular:Projectors|Projector]] to use. 'standard' is the default|| 
-|| ||--orientgen||string||The [[EMAN2:Modular/OrientGens|orientation generation]] argument for e2project3d.py. Typically something like: //--orientgen=eman:delta=2.0:inc_mirror=0//||+|| ||--orientgen||string||The [[eman2:modular:orientgens|orientation generation]] argument for e2project3d.py. Typically something like: //--orientgen=eman:delta=2.0:inc_mirror=0//||
  
 These  parameters are used by e2project3d. Several orientation generation techniques provide alternative methods for distributing orientations in the asymmetric unit. Orientations can be generated based on your desired angular spacing, or alternatively on the desired total number of projections. In the latter case EMAN2 will generate a number as close as possible to the specified number, but note that there is no guarantee of a perfect match. You can also vary the method by which projections are generated. If you check the 'include mirror' option you should be sure to use aligners to that do not perform mirror alignment. These  parameters are used by e2project3d. Several orientation generation techniques provide alternative methods for distributing orientations in the asymmetric unit. Orientations can be generated based on your desired angular spacing, or alternatively on the desired total number of projections. In the latter case EMAN2 will generate a number as close as possible to the specified number, but note that there is no guarantee of a perfect match. You can also vary the method by which projections are generated. If you check the 'include mirror' option you should be sure to use aligners to that do not perform mirror alignment.
  
 === Options for comparing particles to projections === === Options for comparing particles to projections ===
-See also [[EMAN2:Programs/e2simmx]]+See also [[EMAN2:Programs:e2simmx]]
 || ||--twostage||int||Optionally run a faster 2-stage similarity matrix, ~5-30x faster, almost identical results. Value specifies shrink factor for first stage, typ 1-3|| || ||--twostage||int||Optionally run a faster 2-stage similarity matrix, ~5-30x faster, almost identical results. Value specifies shrink factor for first stage, typ 1-3||
 || ||--shrink||int||Optionally shrink the input particles by an integer amount prior to computing similarity scores. For speed. If used with --twostage, this specifies the second stage shrink factor.|| || ||--shrink||int||Optionally shrink the input particles by an integer amount prior to computing similarity scores. For speed. If used with --twostage, this specifies the second stage shrink factor.||
-|| ||--simcmp||string||The name of a [[EMAN2:Modular/Cmps|comparator]] to be used in comparing the aligned images|| +|| ||--simcmp||string||The name of a [[EMAN2:Modular:Cmps|comparator]] to be used in comparing the aligned images|| 
-|| ||--simalign||string||The name of an [[EMAN2:Modular/Aligners|aligner]] to use prior to comparing the images|| +|| ||--simalign||string||The name of an [[EMAN2:Modular:Aligners|aligner]] to use prior to comparing the images|| 
-|| ||--simaligncmp||string||Name and options for a [[EMAN2:Modular/Cmps|comparator]] to use in first stage alignment for classification|| +|| ||--simaligncmp||string||Name and options for a [[EMAN2:Modular:Cmps|comparator]] to use in first stage alignment for classification|| 
-|| ||--simralign||string||The name and parameters of the second stage [[EMAN2:Modular/Aligners|aligner]] which refines the results of the first alignment. Currently this is either not specified or is 'refine'.|| +|| ||--simralign||string||The name and parameters of the second stage [[EMAN2:Modular:Aligners|aligner]] which refines the results of the first alignment. Currently this is either not specified or is 'refine'.|| 
-|| ||--simraligncmp||string||The name and parameters of the [[EMAN2:Modular/Cmps|comparator]] used by the second stage aligner. Default is dot.||+|| ||--simraligncmp||string||The name and parameters of the [[EMAN2:Modular:Cmps|comparator]] used by the second stage aligner. Default is dot.||
 || ||--simmask||string||A file containing a single 0/1 image to apply as a mask before comparison but after alignment|| || ||--simmask||string||A file containing a single 0/1 image to apply as a mask before comparison but after alignment||
 || ||--prefilt||bool||Filter each reference (c) to match the power spectrum of each particle (r) before alignment and comparison|| || ||--prefilt||bool||Filter each reference (c) to match the power spectrum of each particle (r) before alignment and comparison||
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 === Options for classifying particles based on similarity matrix === === Options for classifying particles based on similarity matrix ===
-See also [[EMAN2:Programs/e2classify]]+See also [[EMAN2:Programs:e2classify]]
 || ||--sep||int||The number of classes a particle can contribute towards (default is 1). This is a precursor to full maximum-liklihood.|| || ||--sep||int||The number of classes a particle can contribute towards (default is 1). This is a precursor to full maximum-liklihood.||
  
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 === Options for generating class-averages === === Options for generating class-averages ===
-See also [[EMAN2:Programs/e2classaverage]]+See also [[EMAN2:Programs:e2classaverage]]
 || ||--classiter||int||The number of iterations to perform. Default is 1. Larger values reduce model/noise bias, but slightly decrease resolution.|| || ||--classiter||int||The number of iterations to perform. Default is 1. Larger values reduce model/noise bias, but slightly decrease resolution.||
 || ||--classcmp||string||The name and parameters of the comparitor used to generate similarity scores, when class averaging. Default is 'dot:normalize=1'|| || ||--classcmp||string||The name and parameters of the comparitor used to generate similarity scores, when class averaging. Default is 'dot:normalize=1'||
-|| ||--classalign||string||If doing more than one iteration, this is the name and parameters of the [[EMAN2:Modular/Aligners|aligner]] used to align particles to the previous class average.|| +|| ||--classalign||string||If doing more than one iteration, this is the name and parameters of the [[EMAN2:Modular:Aligners|aligner]] used to align particles to the previous class average.|| 
-|| ||--classaligncmp||string||This is the name and parameters of the [[EMAN2:Modular/Cmps|comparator]] used by the fist stage aligner  Default is dot.||+|| ||--classaligncmp||string||This is the name and parameters of the [[EMAN2:Modular:Cmps|comparator]] used by the fist stage aligner  Default is dot.||
 || ||--classralign||string||The second stage aligner which refines the results of the first alignment in class averaging. Currently this is either not specified or is 'refine'.|| || ||--classralign||string||The second stage aligner which refines the results of the first alignment in class averaging. Currently this is either not specified or is 'refine'.||
-|| ||--classraligncmp||string||The [[EMAN2:Modular/Cmps|comparator]] used by the second stage aligner in class averageing. Default is dot:normalize=1.|| +|| ||--classraligncmp||string||The [[EMAN2:Modular:Cmps|comparator]] used by the second stage aligner in class averageing. Default is dot:normalize=1.|| 
-|| ||--classaverager||string||The [[EMAN2:Modular/Averagers|averager]] used to generate the class averages. Default is 'mean'.||+|| ||--classaverager||string||The [[EMAN2:Modular:Averagers|averager]] used to generate the class averages. Default is 'mean'.||
 || ||--classkeep||float||The fraction of particles to keep in each class, based on the similarity score generated by the --cmp argument (see also --classkeepsig).|| || ||--classkeep||float||The fraction of particles to keep in each class, based on the similarity score generated by the --cmp argument (see also --classkeepsig).||
 || ||--classkeepsig||bool||Change the keep ('--keep') criterion from fraction-based to sigma-based. eg - with this set, 1.0 would correspond to discarding particles more than 1 standard deviation from the mean|| || ||--classkeepsig||bool||Change the keep ('--keep') criterion from fraction-based to sigma-based. eg - with this set, 1.0 would correspond to discarding particles more than 1 standard deviation from the mean||
-|| ||--classnormproc||string||Normalization [[EMAN2:Modular/Processors|processor]] and options applied during class averaging. Typically 'normalize.edgemean'||+|| ||--classnormproc||string||Normalization [[EMAN2:Modular:Processors|processor]] and options applied during class averaging. Typically 'normalize.edgemean'||
 || ||--classrefsf||bool||This will impose the 1-D structure factor of each model projection onto the corresponding class-average to improve its filtration. This is an alternative to Wiener filtration if the map resolution is regulated.|| || ||--classrefsf||bool||This will impose the 1-D structure factor of each model projection onto the corresponding class-average to improve its filtration. This is an alternative to Wiener filtration if the map resolution is regulated.||
 || ||--classautomask||bool||Experimental. This will apply a 2-D automask to the class-average during iterative alignment for better accuracy. The final class averages are unmasked.|| || ||--classautomask||bool||Experimental. This will apply a 2-D automask to the class-average during iterative alignment for better accuracy. The final class averages are unmasked.||
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 === Options related to 3-D Reconstruction of Class-averages and post-processing === === Options related to 3-D Reconstruction of Class-averages and post-processing ===
 || ||--pad||int||To reduce Fourier artifacts, the model is typically padded by ~25% - only applies to Fourier reconstruction. Please read [[EMAN2:BoxSize]]|| || ||--pad||int||To reduce Fourier artifacts, the model is typically padded by ~25% - only applies to Fourier reconstruction. Please read [[EMAN2:BoxSize]]||
-|| ||--recon||string||[[EMAN2:Modular/Reconstructors|reconstructor]] to use. Main choices are 'fourier' or 'wiener_fourier'||+|| ||--recon||string||[[EMAN2:Modular:Reconstructors|reconstructor]] to use. Main choices are 'fourier' or 'wiener_fourier'||
 || ||--m3dkeep||float||The percentage of slices to keep in e2make3d.py|| || ||--m3dkeep||float||The percentage of slices to keep in e2make3d.py||
 || ||--m3dkeepsig||bool||Similar to classkeepsig above, changes the meaning of --m3dkeep to be in terms of standard deviations|| || ||--m3dkeepsig||bool||Similar to classkeepsig above, changes the meaning of --m3dkeep to be in terms of standard deviations||
 || ||--m3dsetsf||bool||Filters the final 3-D map to match the precomputed structure factor (stored in the project database). Normally used with a //--m3dpostprocess=filter.lowpass.*// option|| || ||--m3dsetsf||bool||Filters the final 3-D map to match the precomputed structure factor (stored in the project database). Normally used with a //--m3dpostprocess=filter.lowpass.*// option||
 || ||--m3diter||int||The number of times the 3D reconstruction should be iterated. 2 and 3 are the only valid values. 2 is faster and normally has sufficient accuracy.|| || ||--m3diter||int||The number of times the 3D reconstruction should be iterated. 2 and 3 are the only valid values. 2 is faster and normally has sufficient accuracy.||
-|| ||--m3dpreprocess||string||Normalization [[EMAN2:Modular/Processors|processor]] applied before 3D reconstruction|| +|| ||--m3dpreprocess||string||Normalization [[EMAN2:Modular:Processors|processor]] applied before 3D reconstruction|| 
-|| ||--m3dpostprocess||string||Post [[EMAN2:Modular/Processors|processor]] to be applied to the 3D volume once the reconstruction is completed||+|| ||--m3dpostprocess||string||Post [[EMAN2:Modular:Processors|processor]] to be applied to the 3D volume once the reconstruction is completed||
 || ||--automask3d||string||The 5 parameters of the mask.auto3d processor, applied after 3D reconstruction. These parameters are, in order: isosurface threshold,radius,nshells and nshellsgauss. From e2proc3d.py you could achieve the same thing using //--process=mask.auto3d:threshold=1.1:radius=30:nshells=5:nshellsgauss=5//. //e2help.py processors -v2// for more information on mask.auto3d.|| || ||--automask3d||string||The 5 parameters of the mask.auto3d processor, applied after 3D reconstruction. These parameters are, in order: isosurface threshold,radius,nshells and nshellsgauss. From e2proc3d.py you could achieve the same thing using //--process=mask.auto3d:threshold=1.1:radius=30:nshells=5:nshellsgauss=5//. //e2help.py processors -v2// for more information on mask.auto3d.||
  
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 Please note that the box-sizes suggested in EMAN2 are larger than those in EMAN1 for improved CTF correction. Details on box size selection are [[EMAN2:BoxSize|here]]. Please note that the box-sizes suggested in EMAN2 are larger than those in EMAN1 for improved CTF correction. Details on box size selection are [[EMAN2:BoxSize|here]].
  
-The refinement process produces a large number of different output files in databases within directories named //refine_xx//. The easiest way to browse these files is with //[[EMAN2:Programs/e2display]]//, the file browser. For documentation of the file contents, please see the items towards the bottom of [[EMAN2:Concepts|this page]].+The refinement process produces a large number of different output files in databases within directories named //refine_xx//. The easiest way to browse these files is with //[[EMAN2:Programs:e2display]]//, the file browser. For documentation of the file contents, please see the items towards the bottom of [[EMAN2:Concepts|this page]].
  
eman2/programs_e2refine.1751802198.txt.gz · Last modified: by steveludtke