eman2:programs_e2refine
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eman2:programs_e2refine [2025/07/06 11:43] – created steveludtke | eman2: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: | + | 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: |
- | 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: | + | 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: |
==== Command Line Arguments ==== | ==== Command Line Arguments ==== | ||
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|| ||--mass||float||The mass of the particle in kilodaltons, | || ||--mass||float||The mass of the particle in kilodaltons, | ||
|| ||--apix||float||The angstrom per pixel of the input particles. This argument is required if you specify the --mass argument. If unspecified, | || ||--apix||float||The angstrom per pixel of the input particles. This argument is required if you specify the --mass argument. If unspecified, | ||
- | || ||--sym||string||[[EMAN2: | + | || ||--sym||string||[[EMAN2: |
|| ||--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:< | ||-P||--parallel||string||Run in parallel, specify type:< | ||
=== Options related to making projections === | === Options related to making projections === | ||
- | See also [[EMAN2: | + | See also [[EMAN2: |
- | || ||--projector||string||[[EMAN2: | + | || ||--projector||string||[[EMAN2: |
- | || ||--orientgen||string||The [[EMAN2:Modular/ | + | || ||--orientgen||string||The [[eman2:modular: |
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 ' | 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 ' | ||
=== Options for comparing particles to projections === | === Options for comparing particles to projections === | ||
- | See also [[EMAN2: | + | See also [[EMAN2: |
|| ||--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: | + | || ||--simcmp||string||The name of a [[EMAN2: |
- | || ||--simalign||string||The name of an [[EMAN2: | + | || ||--simalign||string||The name of an [[EMAN2: |
- | || ||--simaligncmp||string||Name and options for a [[EMAN2: | + | || ||--simaligncmp||string||Name and options for a [[EMAN2: |
- | || ||--simralign||string||The name and parameters of the second stage [[EMAN2: | + | || ||--simralign||string||The name and parameters of the second stage [[EMAN2: |
- | || ||--simraligncmp||string||The name and parameters of the [[EMAN2: | + | || ||--simraligncmp||string||The name and parameters of the [[EMAN2: |
|| ||--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: | + | See also [[EMAN2: |
|| ||--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: | + | See also [[EMAN2: |
|| ||--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 ' | || ||--classcmp||string||The name and parameters of the comparitor used to generate similarity scores, when class averaging. Default is ' | ||
- | || ||--classalign||string||If doing more than one iteration, this is the name and parameters of the [[EMAN2: | + | || ||--classalign||string||If doing more than one iteration, this is the name and parameters of the [[EMAN2: |
- | || ||--classaligncmp||string||This is the name and parameters of the [[EMAN2: | + | || ||--classaligncmp||string||This is the name and parameters of the [[EMAN2: |
|| ||--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 ' | || ||--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 ' | ||
- | || ||--classraligncmp||string||The [[EMAN2: | + | || ||--classraligncmp||string||The [[EMAN2: |
- | || ||--classaverager||string||The [[EMAN2: | + | || ||--classaverager||string||The [[EMAN2: |
|| ||--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 (' | || ||--classkeepsig||bool||Change the keep (' | ||
- | || ||--classnormproc||string||Normalization [[EMAN2: | + | || ||--classnormproc||string||Normalization [[EMAN2: |
|| ||--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: | || ||--pad||int||To reduce Fourier artifacts, the model is typically padded by ~25% - only applies to Fourier reconstruction. Please read [[EMAN2: | ||
- | || ||--recon||string||[[EMAN2: | + | || ||--recon||string||[[EMAN2: |
|| ||--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 // | || ||--m3dsetsf||bool||Filters the final 3-D map to match the precomputed structure factor (stored in the project database). Normally used with a // | ||
|| ||--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: | + | || ||--m3dpreprocess||string||Normalization [[EMAN2: |
- | || ||--m3dpostprocess||string||Post [[EMAN2: | + | || ||--m3dpostprocess||string||Post [[EMAN2: |
|| ||--automask3d||string||The 5 parameters of the mask.auto3d processor, applied after 3D reconstruction. These parameters are, in order: isosurface threshold, | || ||--automask3d||string||The 5 parameters of the mask.auto3d processor, applied after 3D reconstruction. These parameters are, in order: isosurface threshold, | ||
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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: | 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: | ||
- | The refinement process produces a large number of different output files in databases within directories named // | + | The refinement process produces a large number of different output files in databases within directories named // |
eman2/programs_e2refine.1751802198.txt.gz · Last modified: by steveludtke