scipion-em-xmipp 23.3.0.3__py3-none-any.whl → 23.11.0.0__py3-none-any.whl
This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
- {scipion_em_xmipp-23.3.0.3.dist-info → scipion_em_xmipp-23.11.0.0.dist-info}/METADATA +4 -4
- {scipion_em_xmipp-23.3.0.3.dist-info → scipion_em_xmipp-23.11.0.0.dist-info}/RECORD +75 -80
- {scipion_em_xmipp-23.3.0.3.dist-info → scipion_em_xmipp-23.11.0.0.dist-info}/WHEEL +1 -1
- xmipp3/__init__.py +29 -27
- xmipp3/bibtex.py +54 -0
- xmipp3/convert/io_coordinates.py +2 -1
- xmipp3/protocols/__init__.py +8 -8
- xmipp3/protocols/protocol_align_volume.py +7 -2
- xmipp3/protocols/protocol_align_volume_and_particles.py +1 -1
- xmipp3/protocols/protocol_analyze_local_ctf.py +2 -0
- xmipp3/protocols/protocol_angular_resolution_alignment.py +204 -0
- xmipp3/protocols/protocol_center_particles.py +7 -7
- xmipp3/protocols/protocol_compare_reprojections.py +4 -4
- xmipp3/protocols/protocol_consensus_classes.py +604 -0
- xmipp3/protocols/protocol_consensus_local_ctf.py +98 -35
- xmipp3/protocols/protocol_convert_pdb.py +225 -122
- xmipp3/protocols/protocol_create_gallery.py +1 -1
- xmipp3/protocols/protocol_ctf_consensus.py +6 -7
- xmipp3/protocols/protocol_deep_center_assignment.py +261 -0
- xmipp3/protocols/protocol_deep_hand.py +1 -1
- xmipp3/protocols/protocol_deep_micrograph_screen.py +28 -22
- xmipp3/protocols/protocol_extract_particles.py +78 -15
- xmipp3/protocols/protocol_extract_particles_movies.py +3 -7
- xmipp3/protocols/protocol_flexalign.py +3 -3
- xmipp3/protocols/protocol_local_ctf.py +3 -1
- xmipp3/protocols/protocol_movie_dose_analysis.py +410 -0
- xmipp3/protocols/protocol_movie_gain.py +98 -133
- xmipp3/protocols/protocol_particle_pick_automatic.py +55 -47
- xmipp3/protocols/protocol_particle_pick_consensus.py +11 -8
- xmipp3/protocols/protocol_preprocess/protocol_create_mask3d.py +8 -2
- xmipp3/protocols/protocol_preprocess/protocol_crop_resize.py +67 -7
- xmipp3/protocols/protocol_preprocess/protocol_filter.py +4 -4
- xmipp3/protocols/protocol_preprocess/protocol_movie_resize.py +7 -5
- xmipp3/protocols/protocol_preprocess/protocol_preprocess.py +3 -2
- xmipp3/protocols/protocol_preprocess/protocol_process.py +4 -1
- xmipp3/protocols/protocol_preprocess_micrographs.py +30 -29
- xmipp3/protocols/protocol_resolution_deepres.py +1 -1
- xmipp3/protocols/protocol_resolution_directional.py +1 -1
- xmipp3/protocols/protocol_resolution_fso.py +2 -1
- xmipp3/protocols/protocol_resolution_monogenic_signal.py +1 -1
- xmipp3/protocols/protocol_screen_deepConsensus.py +4 -3
- xmipp3/protocols/protocol_simulate_ctf.py +28 -5
- xmipp3/protocols/protocol_subtract_projection.py +19 -10
- xmipp3/protocols/protocol_tilt_analysis.py +3 -27
- xmipp3/protocols/protocol_trigger_data.py +5 -21
- xmipp3/protocols/protocol_validate_fscq.py +1 -1
- xmipp3/protocols/protocol_volume_consensus.py +1 -0
- xmipp3/protocols/protocol_volume_local_adjust.py +119 -0
- xmipp3/protocols/protocol_volume_local_sharpening.py +1 -1
- xmipp3/protocols.conf +5 -7
- xmipp3/tests/test_protocol_deep_center_assignment.py +132 -0
- xmipp3/tests/test_protocol_simulate_ctf.py +47 -3
- xmipp3/tests/test_protocols_angular_resolution_alignment.py +88 -0
- xmipp3/tests/test_protocols_continuousflex.py +22 -0
- xmipp3/tests/test_protocols_local_defocus.py +6 -3
- xmipp3/tests/test_protocols_mixed_movies.py +0 -21
- xmipp3/tests/test_protocols_xmipp_2d.py +0 -27
- xmipp3/tests/test_protocols_xmipp_3d.py +196 -56
- xmipp3/tests/test_protocols_xmipp_mics.py +12 -36
- xmipp3/tests/test_protocols_xmipp_movies.py +78 -0
- xmipp3/viewers/__init__.py +4 -3
- xmipp3/viewers/viewer.py +3 -41
- xmipp3/viewers/viewer_angular_resolution_alignment.py +148 -0
- xmipp3/viewers/viewer_consensus_classes.py +145 -0
- xmipp3/viewers/viewer_dose_analysis.py +113 -0
- xmipp3/viewers/viewer_metaprotocol_golden_highres.py +5 -6
- xmipp3/viewers/viewer_projmatch.py +4 -4
- xmipp3/viewers/viewer_resolution_directional.py +3 -3
- xmipp3/viewers/viewer_resolution_fso.py +21 -11
- xmipp3/viewers/viewer_resolution_monogenic_signal.py +6 -3
- xmipp3/viewers/viewer_structure_map.py +4 -1
- xmipp3/wizards.py +10 -6
- xmipp3/protocols/protocol_apply_deformation_zernike3d.py +0 -113
- xmipp3/protocols/protocol_classification_gpuCorr.py +0 -821
- xmipp3/protocols/protocol_classification_gpuCorr_full.py +0 -1014
- xmipp3/protocols/protocol_classification_gpuCorr_semi.py +0 -462
- xmipp3/protocols/protocol_classify_kmeans2d.py +0 -285
- xmipp3/protocols/protocol_consensus_classes3D.py +0 -782
- xmipp3/protocols/protocol_kmeans_clustering.py +0 -122
- xmipp3/protocols/protocol_particle_boxsize.py +0 -133
- xmipp3/protocols/protocol_rotational_spectra.py +0 -213
- xmipp3/protocols/protocol_split_volume_hierarchical_cluster.py +0 -865
- xmipp3/tests/test_protocols_gpuCorr_classifier.py +0 -141
- xmipp3/tests/test_protocols_gpuCorr_fullStreaming.py +0 -172
- xmipp3/tests/test_protocols_gpuCorr_semiStreaming.py +0 -68
- xmipp3/viewers/viewer_classes3D.py +0 -161
- xmipp3/viewers/viewer_consensus_classes3D.py +0 -291
- {scipion_em_xmipp-23.3.0.3.dist-info → scipion_em_xmipp-23.11.0.0.dist-info}/LICENSE +0 -0
- {scipion_em_xmipp-23.3.0.3.dist-info → scipion_em_xmipp-23.11.0.0.dist-info}/entry_points.txt +0 -0
- {scipion_em_xmipp-23.3.0.3.dist-info → scipion_em_xmipp-23.11.0.0.dist-info}/top_level.txt +0 -0
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Metadata-Version: 2.1
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Name: scipion-em-xmipp
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Version: 23.
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Version: 23.11.0.0
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Summary: Plugin to use Xmipp programs within the Scipion framework (see https://scipion-em.github.io/docs/).
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Home-page: https://github.com/i2pc/scipion-em-xmipp
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Author: I2PC
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License: UNKNOWN
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Keywords: scipion cryoem imageprocessing scipion-3.0
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Platform: UNKNOWN
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Requires-Dist: scipion-pyworkflow
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Requires-Dist: scipion-pyworkflow >=3.0.31
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Requires-Dist: scikit-learn ==0.22
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Requires-Dist: scipion-em
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Requires-Dist: scipy (<=1.8.1)
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Requires-Dist: scipy <=1.10.0
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Requires-Dist: joblib
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Requires-Dist: peppercorn
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Requires-Dist: plotter
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xmipp3/__init__.py,sha256=
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xmipp3/__init__.py,sha256=QuKgvzbrckW-olA05xkWEbz5L9rMOvBFbTj3Nmt2hcg,13311
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xmipp3/base.py,sha256=pFu7FZjm4WeqWbLZJwbmGH3-2YixAIpKyWMFvVrsBYc,21220
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xmipp3/bibtex.py,sha256=
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xmipp3/bibtex.py,sha256=YZjuuB_9RC4QOOy5r86cRX3ze2EWz43iGzIDQvtu5HQ,28310
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xmipp3/constants.py,sha256=ND8PUJyUIP3IS3kbq0tZqk77Yq0c4WotRUj_r2gEDxo,3833
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xmipp3/programs.py,sha256=yrMD0EHEq5j_ODCeINbaCp4CEqSgkmioan1O1mAgPY0,11968
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xmipp3/protocols.conf,sha256=
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xmipp3/protocols.conf,sha256=oyp24nsLnr5TqjLVgPIfJjEwD9QlQ1MCzwuUAj_mlJ0,12386
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xmipp3/utils.py,sha256=JKuEdR40rn6pdm0puwsgzItbNnrFL4sa7pBymVtRzLM,9125
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xmipp3/wizards.py,sha256=
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xmipp3/wizards.py,sha256=kS2ctLuy46m-8XPWrd2705V9Gxbhf4UBa4vKJ8eqius,20343
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xmipp3/xmipp_logo.png,sha256=ggrFNUy5UEBjvKfNvu0T14Kzolnhc-ij9AQ734R27MY,84496
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xmipp3/convert/__init__.py,sha256=y231wRpfDySMgyjLi6xYuO3hTG1NZBNnMRT7dNnYqu8,1211
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xmipp3/convert/convert.py,sha256=89Kay47zY8dguxUrxfrSUkCb__9-qe96h_tQZdzctWc,62027
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xmipp3/convert/dataimport.py,sha256=ssmMLKU1qXDuqjStNJv-zfYNJAJ-0k7EzNyF4jf91IU,13292
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xmipp3/protocols/__init__.py,sha256=
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xmipp3/protocols/protocol_align_volume.py,sha256=
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xmipp3/protocols/protocol_align_volume_and_particles.py,sha256=
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xmipp3/protocols/protocol_analyze_local_ctf.py,sha256=
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xmipp3/convert/io_coordinates.py,sha256=ZUKEbL7DjJ0jDVJzs2Nnc-sX7QYuAyGSponhP6WYMDI,1963
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xmipp3/protocols/__init__.py,sha256=0O75OJ2F3-ud9FUkMEFnO2M4B8D1F3TVFVO0fXbTwYQ,8554
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xmipp3/protocols/protocol_align_volume.py,sha256=uxFtsb9cB0tz9QkyXvR3pK5457x9sq9F-qyeuOeA2go,19070
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xmipp3/protocols/protocol_align_volume_and_particles.py,sha256=g5dpZfq_iggeTFt2-3iGvc8zFQY_5EaiBg0gycEKPLw,10735
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xmipp3/protocols/protocol_analyze_local_ctf.py,sha256=O1_xWXuKDRGvhhd-BQ1DRMKti_KDqNN_kALzUhvN3DQ,7446
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xmipp3/protocols/protocol_angular_graph_consistency.py,sha256=CjRg1dkOUC8R9EaKKUyypjPSTmPetCkAUQE1Q184gS0,30302
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xmipp3/protocols/protocol_apply_alignment.py,sha256=TL89xGiYtPN5mlEhU4R-6yLEzjxIyx2TStiTyXdkvKw,5958
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xmipp3/protocols/protocol_apply_deformation_zernike3d.py,sha256=rlRxaTNmp8X0WBNwBZNF_QTCS38WnUzBtg1M25_aNOo,5673
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xmipp3/protocols/protocol_apply_transformation_matrix.py,sha256=TJJ7IQK_FM_-3488iBCH6JQSnBLBhPg78mYXN2E2PAk,4891
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xmipp3/protocols/protocol_apply_zernike3d.py,sha256=aHb-6oFCLIZV49OXlft_VQgmcO9vd65-g-KFPK-Arbw,10506
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xmipp3/protocols/protocol_assignment_tilt_pair.py,sha256=4bjhPZbffm2jIZV4LLbrw-_fhNbzZVPf1UmzbqhpK_o,10332
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xmipp3/protocols/protocol_break_symmetry.py,sha256=OZvOOsyFMX-pdk69rYo546AxvRZtRFs0GmuT9Vkv6mc,6183
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xmipp3/protocols/protocol_center_particles.py,sha256=
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xmipp3/protocols/protocol_center_particles.py,sha256=2ug42YlvD7PidOLC1EL6U4b-WFm9i6UF8ggn_ksC14E,11159
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xmipp3/protocols/protocol_cl2d.py,sha256=Ksik8xTx2m0DHKDiemOz2q_lhNFOrar6OXMxVrY6a08,27226
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xmipp3/protocols/protocol_cl2d_align.py,sha256=RF_WVqNMnLGXALW5LyIQ43JmoysSyYcrV5vOsnef0oY,8279
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xmipp3/protocols/protocol_classes_2d_mapping.py,sha256=oq6me8X4v4qFJt-GtJ4S1y64qkPCmUVWHkfMgK8XCcA,18032
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xmipp3/protocols/protocol_classification_gpuCorr_full.py,sha256=cnRykHISyHmUXLKWLZLBr6rXP5RZQ01loj7PsdWKp0A,40366
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xmipp3/protocols/protocol_create_gallery.py,sha256=GwuJxJLkPlxZxUSt-J8oDgPN7wWmFBd4iPENcve_JIY,5970
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xmipp3/tests/test_protocols_metaprotocol_golden_highres.py,sha256=T5H6NuzvFIBFTj7y3Pq5OfkNMrrTmqK5KxSoHLyEJIY,4034
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xmipp3/tests/test_protocols_mixed_movies.py,sha256=
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xmipp3/tests/test_protocols_xmipp_2d.py,sha256=
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xmipp3/tests/test_protocols_xmipp_2d.py,sha256=rl9QrVth3-VnXfxAYq-nYdYdgLcP_hy8Kmv5iLz_jcw,75260
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xmipp3/tests/test_protocols_xmipp_3d.py,sha256=dyKNJr0H9_6TSUwSpz699PLcvN6vZV5NHsENSFv6Qrw,169580
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xmipp3/tests/test_protocols_xmipp_mics.py,sha256=NV0ffSbX0W5f_6fL9ueOPUL1mVEA1caJYeB8KUKX-gQ,59879
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xmipp3/tests/test_protocols_xmipp_movie_resize.py,sha256=XR1gYYZeDhNOkDkZhimPDbqcYwss5z-zbhJ73ZM0a5g,6494
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xmipp3/tests/test_protocols_xmipp_movies.py,sha256=
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xmipp3/tests/test_protocols_xmipp_movies.py,sha256=SFn8sZyFl3ROatSWCl4CmhKA1nAkygJDNQFgFe0r2sY,38274
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xmipp3/tests/test_protocols_zernike3d.py,sha256=bTXCK4wBKSJZK1KCZXec3j8y1mVLoBxE5bF3AGbOsNs,18132
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xmipp3/viewers/__init__.py,sha256=
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xmipp3/viewers/__init__.py,sha256=gHkUPN2FOp-vvoLRcZzoHjatMNdmBTWp6607pnjaQsI,3618
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xmipp3/viewers/viewer_analyze_local_ctf.py,sha256=-Oa7flu05KxP8M6AlZRaWKCRqZljRz23Z6Ncz1qDHhw,4866
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xmipp3/viewers/viewer_angular_resolution_alignment.py,sha256=9DCZ94TAedHltvlKf99BEFtgFuoMisKipMwubPn82lU,5155
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xmipp3/viewers/viewer_cl2d.py,sha256=7uBU6zYOkhYqjMNWFUPFbMOPsqWja9DaTssp_ju6AXw,8764
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xmipp3/viewers/viewer_consensus_classes3D.py,sha256=qbqSrDRkWTTQj6z6lq1sC3mTfa2K4ewruhznekgAhZQ,12919
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+
xmipp3/viewers/viewer_consensus_classes.py,sha256=En4EW8tYDS0NLmGoM9IBz_KM9PoBtDo-AqfVxmUDFeE,5434
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xmipp3/viewers/viewer_ctf_consensus.py,sha256=gosd9D2iuTUHgdlQlHIGS_HBybThR1S8SBfgM096e_8,7669
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xmipp3/viewers/viewer_deepEMHancer.py,sha256=ok5e2NfPeK8Joa0Y7Wp0GQG00Pk7AAG19xOE42A1l6c,5741
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xmipp3/viewers/viewer_deep_consensus.py,sha256=ohwXSMb-C4EZh7fNw3JVfxYxTzCVzyDLEPoeC4yqLHg,5608
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|
xmipp3/viewers/viewer_deep_micrograph_cleaner.py,sha256=gFHOPirTM6-i9bHxCs9Fbkh4GQ9fxc7FINDNib0jkdA,5694
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+
xmipp3/viewers/viewer_dose_analysis.py,sha256=9u5WNvJfa3sTOT1enigF5zZYtyzQM2j5uTG6Dn8ybEY,4949
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xmipp3/viewers/viewer_eliminate_empty_images.py,sha256=LMDYe4iql1kFOESBbwyClzNezizYKv9a8LHtvlPCboM,7278
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xmipp3/viewers/viewer_extract_asymmetric_unit.py,sha256=ljuDD9JcTSnfI9Ha9KJK8M62NqzwzPAm1RGnUuyhcdA,7163
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xmipp3/viewers/viewer_local_sharpening.py,sha256=_j_4RZISQjWzrBFmsI88DrNqxbT3Ng1AJRmo0MfdCCk,4408
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xmipp3/viewers/viewer_metaprotocol_golden_highres.py,sha256=
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xmipp3/viewers/viewer_metaprotocol_golden_highres.py,sha256=PwfPMwTo4z_4Fzc-fBV7VLf4RswvMwoF9vlAqd1o9uI,5373
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xmipp3/viewers/viewer_ml2d.py,sha256=XL1NL8mg-W8TC0fHemD-eR9mHxgUMBnF2d9gwJagC7s,8451
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xmipp3/viewers/viewer_movie_alignment.py,sha256=TiCqybpFc1TOhuZeXzQ-YbS8pnOmXplm5XIwaDQG_nE,5368
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xmipp3/viewers/viewer_normalize_strain.py,sha256=L54CZvxaU9ezu223jgvOSTBn4yYWs2x9q87_3vvHi9k,2804
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|
xmipp3/viewers/viewer_pdb_deform_zernike3d.py,sha256=g5-ntcOt7841rFFGPRb6NK-wQ2FfbBz2P1E980uENZo,4653
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xmipp3/viewers/viewer_projmatch.py,sha256=
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xmipp3/viewers/viewer_projmatch.py,sha256=oSBQO8ffVPF8Mixaj4zvcIcadlrau6Z1DU6qFGyos-g,37634
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xmipp3/viewers/viewer_ransac.py,sha256=hfjj3ySF2hlSIicw6WTezZhau9aaQJNGKYR6nP8VYrE,2445
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xmipp3/viewers/viewer_reconstruct_highres.py,sha256=bDcxUyGU4wlRFdBnfbhMiCLRB8b_C8LqaKkXgX0lg00,13184
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xmipp3/viewers/viewer_resolution3d.py,sha256=AfKbCxLzuJG3pJQLPxNgK86WRSWXrgRSEDNjzbM5Y6E,14152
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xmipp3/viewers/viewer_resolution_bfactor.py,sha256=iknAViynFLy3Sx4fs2DvR9zpLUcxTKCyS9VkhMHb1Vw,4933
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|
xmipp3/viewers/viewer_resolution_deepres.py,sha256=M1X9wW7V4yU0BaMxezFNSHhfd4Rpj34ruc-tAnO1T5k,8632
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xmipp3/viewers/viewer_resolution_directional.py,sha256=
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xmipp3/viewers/viewer_resolution_fso.py,sha256=
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xmipp3/viewers/viewer_resolution_monogenic_signal.py,sha256
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+
xmipp3/viewers/viewer_resolution_directional.py,sha256=SOnybW40HuMglekNnD-YGF2ZPMXLZuGf-AwmvRUNg98,20322
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|
+
xmipp3/viewers/viewer_resolution_fso.py,sha256=WIbsYmTKnuJ-wVLAgMoXHmrMMkrb6ukfboyz2NHDUtc,15874
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|
+
xmipp3/viewers/viewer_resolution_monogenic_signal.py,sha256=GCrWKLb9IFVcGY8zKzCNnXWy15T_jPPhM2uZjJ0un8c,11088
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xmipp3/viewers/viewer_solid_angles.py,sha256=S2QANz-8VdoK_8kKTYtkhI6SkPQyRuiPkMaz2bQJCIY,3970
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|
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|
xmipp3/viewers/viewer_split_volume.py,sha256=4rmH0ixpNS1eR_FLgmD5lgo4IUmqTPNST7_-wLMHkj4,2146
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xmipp3/viewers/viewer_structure_map.py,sha256=
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+
xmipp3/viewers/viewer_structure_map.py,sha256=qCD-kxulB7nR_Oiha9AkkHwOfHqcuPpkW4aqIjVHxLo,14534
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|
xmipp3/viewers/viewer_subtract_projection.py,sha256=UPm_G_CwTUgtgzVMtNCF3NFgnfwxJSy3HmaKYW2WECE,2860
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|
xmipp3/viewers/viewer_swarm.py,sha256=liXSpVMNqO0YzcexF6hyl8n8V6j2t7yB8D42dHWIazk,2590
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|
xmipp3/viewers/viewer_validate_fscq.py,sha256=suGL5IqAv6Nsvs9oNscFcpD_zbienRMdQ7Mns2u3m58,18651
|
|
@@ -212,9 +207,9 @@ xmipp3/viewers/viewer_volume_consensus.py,sha256=S7YViiZ9w5xAGhfyj1RnDypVWsQ7PKh
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|
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212
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|
xmipp3/viewers/viewer_volume_deform_zernike3d.py,sha256=BOeI7go5w2RRwGjV9kPm2U76tVJRaHww1Pl0zUCXQRw,8903
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213
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|
xmipp3/viewers/viewer_volume_strain.py,sha256=4LQUrceVMB6OaAfTpFXdn3vGv-sXQzUIPDEPELYfasY,2378
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214
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|
xmipp3/viewers/viewer_volume_subtraction.py,sha256=3RbwJQIaCcdzldrFODLgWlFbCips1450RDVzngLRRoU,5121
|
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215
|
-
scipion_em_xmipp-23.
|
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216
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-
scipion_em_xmipp-23.
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scipion_em_xmipp-23.
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scipion_em_xmipp-23.
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scipion_em_xmipp-23.
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|
+
scipion_em_xmipp-23.11.0.0.dist-info/LICENSE,sha256=jOtLnuWt7d5Hsx6XXB2QxzrSe2sWWh3NgMfFRetluQM,35147
|
|
211
|
+
scipion_em_xmipp-23.11.0.0.dist-info/METADATA,sha256=IULZhDq6q8pFJVatS-j-3hu2eKIPhGyOhB1B4jk7PSg,1622
|
|
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|
+
scipion_em_xmipp-23.11.0.0.dist-info/WHEEL,sha256=oiQVh_5PnQM0E3gPdiz09WCNmwiHDMaGer_elqB3coM,92
|
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213
|
+
scipion_em_xmipp-23.11.0.0.dist-info/entry_points.txt,sha256=uAfbaIdLcZ7JWL0tWzQVwsVEyyOZb1WcBX4YZMqRrIk,37
|
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214
|
+
scipion_em_xmipp-23.11.0.0.dist-info/top_level.txt,sha256=qnLFoZzwKticb33xgeSAJv3P7nD2nHMTFKYzxAorOOQ,7
|
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|
+
scipion_em_xmipp-23.11.0.0.dist-info/RECORD,,
|
xmipp3/__init__.py
CHANGED
|
@@ -37,12 +37,15 @@ import pyworkflow.utils as pwutils
|
|
|
37
37
|
from .base import *
|
|
38
38
|
from .constants import XMIPP_HOME, XMIPP_URL, XMIPP_DLTK_NAME
|
|
39
39
|
|
|
40
|
-
|
|
41
|
-
|
|
42
|
-
_currentBinVersion = '3.23.03.0'
|
|
43
|
-
# This will allow scipion to detect the plugin version and print it in the log.
|
|
44
|
-
__version__ = _currentBinVersion[2:] + ".3" # Set this to ".0" on each xmipp binary release, otherwise increase it --> ".1", ".2", ...
|
|
40
|
+
type_of_version = 'release' #'devel'
|
|
41
|
+
_logo = "xmipp_logo" + ("" if type_of_version == 'release' else '_devel') + '.png'
|
|
45
42
|
|
|
43
|
+
_references = ['delaRosaTrevin2013', 'Sorzano2013', 'Strelak2021']
|
|
44
|
+
_currentBinVersion = '3.23.11.0'
|
|
45
|
+
__version__ = _currentBinVersion[2:] + ".0" # Set this to ".0" on each xmipp binary release, otherwise increase it --> ".1", ".2", ...
|
|
46
|
+
|
|
47
|
+
# Requirement version variables
|
|
48
|
+
NVIDIA_DRIVERS_MINIMUM_VERSION = 450
|
|
46
49
|
|
|
47
50
|
class Plugin(pwem.Plugin):
|
|
48
51
|
_homeVar = XMIPP_HOME
|
|
@@ -209,38 +212,37 @@ def installDeepLearningToolkit(plugin, env):
|
|
|
209
212
|
env=plugin.getEnviron(),
|
|
210
213
|
stdout=subprocess.PIPE
|
|
211
214
|
).stdout.read().decode('utf-8').split(".")[0]
|
|
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|
-
|
|
213
|
-
int(nvidiaDriverVer)
|
|
214
|
-
except ValueError:
|
|
215
|
-
nvidiaDriverVer = None
|
|
216
|
-
if int(nvidiaDriverVer) < 390:
|
|
215
|
+
if int(nvidiaDriverVer) < NVIDIA_DRIVERS_MINIMUM_VERSION:
|
|
217
216
|
preMsgs.append("Incompatible driver %s" % nvidiaDriverVer)
|
|
218
|
-
cudaMsgs.append("Your NVIDIA drivers are too old (<
|
|
217
|
+
cudaMsgs.append(f"Your NVIDIA drivers are too old (<{NVIDIA_DRIVERS_MINIMUM_VERSION}). "
|
|
219
218
|
"Tensorflow was installed without GPU support. "
|
|
220
|
-
"Just CPU computations enabled (slow computations)."
|
|
219
|
+
"Just CPU computations enabled (slow computations)."
|
|
220
|
+
f"To enable CUDA (drivers>{NVIDIA_DRIVERS_MINIMUM_VERSION} needed), "
|
|
221
|
+
"set CUDA=True in 'scipion.conf' file")
|
|
221
222
|
nvidiaDriverVer = None
|
|
222
|
-
except
|
|
223
|
-
|
|
223
|
+
except (ValueError, TypeError):
|
|
224
|
+
nvidiaDriverVer = None
|
|
225
|
+
preMsgs.append("Not nvidia driver found. Type: "
|
|
226
|
+
" nvidia-smi --query-gpu=driver_version --format=csv,noheader")
|
|
227
|
+
preMsgs.append(
|
|
228
|
+
"CUDA will NOT be USED. (not found or incompatible)")
|
|
229
|
+
msg = ("Tensorflow installed without GPU. Just CPU computations "
|
|
230
|
+
"enabled (slow computations).")
|
|
231
|
+
cudaMsgs.append(msg)
|
|
232
|
+
useGpu = False
|
|
224
233
|
|
|
225
234
|
if nvidiaDriverVer is not None:
|
|
226
|
-
preMsgs.append("CUDA support
|
|
227
|
-
msg = "Tensorflow installed with CUDA SUPPORT."
|
|
235
|
+
preMsgs.append("CUDA support found. Driver version: %s" % nvidiaDriverVer)
|
|
236
|
+
msg = "Tensorflow will be installed with CUDA SUPPORT."
|
|
228
237
|
cudaMsgs.append(msg)
|
|
229
238
|
useGpu = True
|
|
230
|
-
|
|
231
|
-
preMsgs.append("CUDA will NOT be USED. (not found or incompatible)")
|
|
232
|
-
msg = ("Tensorflow installed without GPU. Just CPU computations "
|
|
233
|
-
"enabled (slow computations). To enable CUDA (drivers>390 needed), "
|
|
234
|
-
"set CUDA=True in 'scipion.conf' file")
|
|
235
|
-
cudaMsgs.append(msg)
|
|
236
|
-
useGpu = False
|
|
239
|
+
|
|
237
240
|
|
|
238
241
|
# commands = [(command, target), (cmd, tgt), ...]
|
|
239
|
-
cmdsInstall =
|
|
240
|
-
CondaEnvManager.yieldInstallAllCmds(useGpu=useGpu)]
|
|
242
|
+
cmdsInstall = list(CondaEnvManager.yieldInstallAllCmds(useGpu=useGpu))
|
|
241
243
|
|
|
242
244
|
now = datetime.now()
|
|
243
|
-
installDLvars = {'modelsUrl': "
|
|
245
|
+
installDLvars = {'modelsUrl': "https://scipion.cnb.csic.es/downloads/scipion/software/em",
|
|
244
246
|
'syncBin': plugin.getHome('bin/xmipp_sync_data'),
|
|
245
247
|
'modelsDir': plugin.getHome('models'),
|
|
246
248
|
'modelsPrefix': "models_UPDATED_on",
|
|
@@ -267,6 +269,6 @@ def installDeepLearningToolkit(plugin, env):
|
|
|
267
269
|
" fi" % installDLvars, # End of command
|
|
268
270
|
installDLvars['xmippLibToken']) # Target
|
|
269
271
|
|
|
270
|
-
env.addPackage(XMIPP_DLTK_NAME, version='0
|
|
272
|
+
env.addPackage(XMIPP_DLTK_NAME, version='1.0', urlSuffix='external',
|
|
271
273
|
commands=[xmippInstallCheck]+cmdsInstall+[modelsDownloadCmd],
|
|
272
274
|
deps=[], tar=XMIPP_DLTK_NAME+'.tgz')
|
xmipp3/bibtex.py
CHANGED
|
@@ -604,5 +604,59 @@ url = {https://www.sciencedirect.com/science/article/pii/S104784772100085X},
|
|
|
604
604
|
author = {E. Fernández-Giménez and M. Martínez and R. Sánchez-García and R. Marabini and E. Ramírez-Aportela and
|
|
605
605
|
P. Conesa and J.M. Carazo and C.O.S. Sorzano},
|
|
606
606
|
}
|
|
607
|
+
|
|
608
|
+
@Article{Strelak2021,
|
|
609
|
+
AUTHOR = {Strelak, David and Jiménez-Moreno, Amaya and Vilas, José L. and Ramírez-Aportela, Erney and Sánchez-García, Ruben and Maluenda, David and Vargas, Javier and Herreros, David and Fernández-Giménez, Estrella and de Isidro-Gómez, Federico P. and Horacek, Jan and Myska, David and Horacek, Martin and Conesa, Pablo and Fonseca-Reyna, Yunior C. and Jiménez, Jorge and Martínez, Marta and Harastani, Mohamad and Jonić, Slavica and Filipovic, Jiri and Marabini, Roberto and Carazo, José M. and Sorzano, Carlos O. S.},
|
|
610
|
+
TITLE = {Advances in Xmipp for Cryo–Electron Microscopy: From Xmipp to Scipion},
|
|
611
|
+
JOURNAL = {Molecules},
|
|
612
|
+
VOLUME = {26},
|
|
613
|
+
YEAR = {2021},
|
|
614
|
+
NUMBER = {20},
|
|
615
|
+
ARTICLE-NUMBER = {6224},
|
|
616
|
+
URL = {https://www.mdpi.com/1420-3049/26/20/6224},
|
|
617
|
+
PubMedID = {34684805},
|
|
618
|
+
ISSN = {1420-3049},
|
|
619
|
+
DOI = {https://doi.org/10.3390/molecules26206224}
|
|
620
|
+
}
|
|
621
|
+
|
|
622
|
+
|
|
623
|
+
@article{Fernandez-Gimenez2023a,
|
|
624
|
+
title = {A new algorithm for particle weighted subtraction to eliminate signals from unwanted components in Single Particle Analysis},
|
|
625
|
+
journal = {Journal of Structural Biology},
|
|
626
|
+
volume = {215},
|
|
627
|
+
number = {4},
|
|
628
|
+
year = {2023},
|
|
629
|
+
issn = {1047-8477},
|
|
630
|
+
doi = {https://doi.org/10.1016/j.jsb.2023.108024},
|
|
631
|
+
url = {https://www.sciencedirect.com/science/article/pii/S1047847723000874},
|
|
632
|
+
author = {E. Fernández-Giménez, M. Martínez, R. Marabini, D. Strelak, R. Sánchez-García, J.M. Carazo and C.O.S. Sorzano},
|
|
633
|
+
}
|
|
634
|
+
|
|
635
|
+
@article{Fernandez-Gimenez2023b,
|
|
636
|
+
title = {Local defocus estimation in Single Particle Analysis in Cryo-Electron Microscopy},
|
|
637
|
+
journal = {Journal of Structural Biology},
|
|
638
|
+
volume = {215},
|
|
639
|
+
number = {4},
|
|
640
|
+
year = {2023},
|
|
641
|
+
issn = {1047-8477},
|
|
642
|
+
doi = {https://doi.org/10.1016/j.jsb.2023.108030},
|
|
643
|
+
url = {https://www.sciencedirect.com/science/article/pii/S104784772300093X},
|
|
644
|
+
author = {E. Fernández-Giménez, J.M. Carazo and C.O.S. Sorzano},
|
|
645
|
+
|
|
646
|
+
|
|
647
|
+
@Article{Strelak2023performance,
|
|
648
|
+
AUTHOR = {Střelák, David and Marchán, Daniel and Carazo, José María and S. Sorzano, Carlos O.},
|
|
649
|
+
TITLE = {Performance and Quality Comparison of Movie Alignment Software for Cryogenic Electron Microscopy},
|
|
650
|
+
JOURNAL = {Micromachines},
|
|
651
|
+
VOLUME = {14},
|
|
652
|
+
YEAR = {2023},
|
|
653
|
+
NUMBER = {10},
|
|
654
|
+
ARTICLE-NUMBER = {1835},
|
|
655
|
+
URL = {https://www.mdpi.com/2072-666X/14/10/1835},
|
|
656
|
+
ISSN = {2072-666X},
|
|
657
|
+
DOI = {https://doi.org/10.3390/mi14101835}
|
|
658
|
+
|
|
659
|
+
}
|
|
660
|
+
|
|
607
661
|
"""
|
|
608
662
|
|
xmipp3/convert/io_coordinates.py
CHANGED
|
@@ -17,9 +17,10 @@ def readSetOfCoordsFromPosFnames(posDir, setOfInputCoords, sqliteOutName,
|
|
|
17
17
|
"""
|
|
18
18
|
|
|
19
19
|
inputMics = setOfInputCoords.getMicrographs()
|
|
20
|
+
inputMicsPointer = setOfInputCoords.getMicrographs(asPointer=True)
|
|
20
21
|
cleanPath(sqliteOutName)
|
|
21
22
|
setOfOutputCoordinates= SetOfCoordinates(filename= sqliteOutName)
|
|
22
|
-
setOfOutputCoordinates.setMicrographs(
|
|
23
|
+
setOfOutputCoordinates.setMicrographs(inputMicsPointer)
|
|
23
24
|
setOfOutputCoordinates.setBoxSize(setOfInputCoords.getBoxSize())
|
|
24
25
|
readSetOfCoordinates(posDir, micSet=inputMics,
|
|
25
26
|
coordSet=setOfOutputCoordinates,
|
xmipp3/protocols/__init__.py
CHANGED
|
@@ -31,6 +31,7 @@ from .protocol_preprocess import *
|
|
|
31
31
|
from .protocol_assignment_tilt_pair import XmippProtAssignmentTiltPair
|
|
32
32
|
from .protocol_align_volume import XmippProtAlignVolume, XmippProtAlignVolumeForWeb
|
|
33
33
|
from .protocol_angular_graph_consistency import XmippProtAngularGraphConsistency
|
|
34
|
+
from .protocol_angular_resolution_alignment import XmippProtResolutionAlignment
|
|
34
35
|
from .protocol_preprocess.protocol_add_noise import (XmippProtAddNoiseVolumes,
|
|
35
36
|
XmippProtAddNoiseParticles)
|
|
36
37
|
from .protocol_apply_alignment import XmippProtApplyAlignment
|
|
@@ -38,10 +39,7 @@ from .protocol_apply_transformation_matrix import XmippProtApplyTransformationMa
|
|
|
38
39
|
from .protocol_break_symmetry import XmippProtAngBreakSymmetry
|
|
39
40
|
from .protocol_cl2d_align import XmippProtCL2DAlign
|
|
40
41
|
from .protocol_cl2d import XmippProtCL2D
|
|
41
|
-
from .protocol_classify_kmeans2d import XmippProtKmeansClassif2D
|
|
42
|
-
from .protocol_classification_gpuCorr import XmippProtGpuCrrCL2D
|
|
43
|
-
from .protocol_classification_gpuCorr_semi import XmippProtStrGpuCrrSimple
|
|
44
|
-
from .protocol_classification_gpuCorr_full import XmippProtStrGpuCrrCL2D
|
|
42
|
+
#from .protocol_classify_kmeans2d import XmippProtKmeansClassif2D
|
|
45
43
|
from .protocol_ctf_defocus_group import XmippProtCTFDefocusGroup
|
|
46
44
|
from .protocol_compare_reprojections import XmippProtCompareReprojections
|
|
47
45
|
from .protocol_compare_angles import XmippProtCompareAngles
|
|
@@ -51,7 +49,7 @@ from .protocol_create_gallery import XmippProtCreateGallery
|
|
|
51
49
|
from .protocol_ctf_consensus import XmippProtCTFConsensus
|
|
52
50
|
from .protocol_ctf_micrographs import XmippProtCTFMicrographs
|
|
53
51
|
from .protocol_ctf_correct_wiener2d import XmippProtCTFCorrectWiener2D
|
|
54
|
-
from .
|
|
52
|
+
from .protocol_consensus_classes import XmippProtConsensusClasses
|
|
55
53
|
from .protocol_denoise_particles import XmippProtDenoiseParticles
|
|
56
54
|
from .protocol_deep_micrograph_screen import XmippProtDeepMicrographScreen
|
|
57
55
|
from .protocol_eliminate_empty_images import (XmippProtEliminateEmptyParticles,
|
|
@@ -68,6 +66,7 @@ from .protocol_movie_gain import XmippProtMovieGain
|
|
|
68
66
|
from .protocol_flexalign import XmippProtFlexAlign
|
|
69
67
|
from .protocol_movie_opticalflow import XmippProtOFAlignment, ProtMovieAlignment
|
|
70
68
|
from .protocol_movie_max_shift import XmippProtMovieMaxShift
|
|
69
|
+
from .protocol_movie_dose_analysis import XmippProtMovieDoseAnalysis
|
|
71
70
|
from .protocol_movie_split_frames import XmippProtSplitFrames
|
|
72
71
|
from .protocol_multiple_fscs import XmippProtMultipleFSCs
|
|
73
72
|
from .protocol_multireference_alignability import XmippProtMultiRefAlignability
|
|
@@ -75,7 +74,7 @@ from .protocol_normalize_strain import XmippProtNormalizeStrain
|
|
|
75
74
|
from .protocol_particle_pick_automatic import XmippParticlePickingAutomatic
|
|
76
75
|
from .protocol_particle_pick_consensus import XmippProtConsensusPicking
|
|
77
76
|
from .protocol_pick_noise import XmippProtPickNoise
|
|
78
|
-
from .protocol_particle_boxsize import XmippProtParticleBoxsize
|
|
77
|
+
#from .protocol_particle_boxsize import XmippProtParticleBoxsize
|
|
79
78
|
from .protocol_particle_pick import XmippProtParticlePicking
|
|
80
79
|
from .protocol_particle_pick_pairs import XmippProtParticlePickingPairs
|
|
81
80
|
from .protocol_phantom_create import XmippProtPhantom
|
|
@@ -96,7 +95,7 @@ from .protocol_resolution_monogenic_signal import XmippProtMonoRes
|
|
|
96
95
|
from .protocol_resolution_deepres import XmippProtDeepRes
|
|
97
96
|
from .protocol_postProcessing_deepPostProcessing import XmippProtDeepVolPostProc
|
|
98
97
|
from .protocol_rotate_volume import XmippProtRotateVolume
|
|
99
|
-
from .protocol_rotational_spectra import XmippProtRotSpectra
|
|
98
|
+
#from .protocol_rotational_spectra import XmippProtRotSpectra
|
|
100
99
|
from .protocol_rotational_symmetry import XmippProtRotationalSymmetry
|
|
101
100
|
from .protocol_screen_particles import XmippProtScreenParticles
|
|
102
101
|
from .protocol_screen_deepConsensus import XmippProtScreenDeepConsensus, XmippProtDeepConsSubSet
|
|
@@ -119,7 +118,6 @@ from .protocol_write_testC import XmippProtWriteTestC
|
|
|
119
118
|
from .protocol_write_testP import XmippProtWriteTestP
|
|
120
119
|
from .protocol_generate_reprojections import XmippProtGenerateReprojections
|
|
121
120
|
from .protocol_deep_denoising import XmippProtDeepDenoising # deepDenoising has to be after XmippProtGenerateReprojections and XmippProtCompareReprojections
|
|
122
|
-
from .protocol_split_volume_hierarchical_cluster import XmippProtSplitVolumeHierarchical
|
|
123
121
|
from .protocol_metaprotocol_create_subset import XmippMetaProtCreateSubset
|
|
124
122
|
from .protocol_volume_deform_zernike3d import XmippProtVolumeDeformZernike3D
|
|
125
123
|
from .protocol_structure_map_zernike3d import XmippProtStructureMapZernike3D
|
|
@@ -135,5 +133,7 @@ from .protocol_structure_map import XmippProtStructureMap
|
|
|
135
133
|
from .protocol_apply_zernike3d import XmippApplyZernike3D
|
|
136
134
|
from .protocol_volume_adjust_sub import XmippProtVolAdjust, XmippProtVolSubtraction
|
|
137
135
|
from .protocol_volume_consensus import XmippProtVolConsensus
|
|
136
|
+
from .protocol_volume_local_adjust import XmippProtLocalVolAdj
|
|
138
137
|
from .protocol_classes_2d_mapping import XmippProtCL2DMap
|
|
139
138
|
from .protocol_deep_hand import XmippProtDeepHand
|
|
139
|
+
from .protocol_deep_center_assignment import XmippProtDeepCenter, XmippProtDeepGlobalAssignment
|
|
@@ -32,6 +32,7 @@ from pwem.protocols import ProtAlignVolume
|
|
|
32
32
|
from pwem.objects import Volume, Transform, SetOfVolumes
|
|
33
33
|
|
|
34
34
|
from xmipp3.convert import getImageLocation
|
|
35
|
+
from pyworkflow import BETA, UPDATED, NEW, PROD
|
|
35
36
|
|
|
36
37
|
|
|
37
38
|
ALIGN_MASK_CIRCULAR = 0
|
|
@@ -51,6 +52,8 @@ class XmippProtAlignVolume(ProtAlignVolume):
|
|
|
51
52
|
"""
|
|
52
53
|
_label = 'align volume'
|
|
53
54
|
nVols = 0
|
|
55
|
+
_devStatus = PROD
|
|
56
|
+
|
|
54
57
|
|
|
55
58
|
def __init__(self, **args):
|
|
56
59
|
ProtAlignVolume.__init__(self, **args)
|
|
@@ -200,7 +203,9 @@ class XmippProtAlignVolume(ProtAlignVolume):
|
|
|
200
203
|
fnOutVol = self._getExtraPath("vol%02d.mrc"%idx)
|
|
201
204
|
outVol.setLocation(fnOutVol)
|
|
202
205
|
outVol.setObjComment(vol.getObjComment())
|
|
203
|
-
|
|
206
|
+
outVol.setObjLabel(vol.getObjLabel())
|
|
207
|
+
|
|
208
|
+
#set transformation matrix
|
|
204
209
|
fhInputTranMat = self._getExtraPath('transformation-matrix_vol%06d.txt'%idx)
|
|
205
210
|
transMatFromFile = np.loadtxt(fhInputTranMat)
|
|
206
211
|
transformationMat = np.reshape(transMatFromFile,(4,4))
|
|
@@ -329,7 +334,7 @@ class XmippProtAlignVolume(ProtAlignVolume):
|
|
|
329
334
|
return maskArgs
|
|
330
335
|
|
|
331
336
|
def _getAlignArgs(self):
|
|
332
|
-
alignArgs = ''
|
|
337
|
+
alignArgs = ' --dontWrap'
|
|
333
338
|
|
|
334
339
|
if self.alignmentAlgorithm == ALIGN_ALGORITHM_FAST_FOURIER:
|
|
335
340
|
alignArgs += " --frm"
|
|
@@ -256,7 +256,7 @@ class XmippProtAlignVolumeParticles(ProtAlignVolume):
|
|
|
256
256
|
if self.maskType == ALIGN_MASK_CIRCULAR:
|
|
257
257
|
maskArgs+=" --mask circular -%d" % self.maskRadius
|
|
258
258
|
else:
|
|
259
|
-
maskArgs+=" --mask binary_file %s" % self.
|
|
259
|
+
maskArgs+=" --mask binary_file %s" % self.maskFile.get().getFileName()
|
|
260
260
|
return maskArgs
|
|
261
261
|
|
|
262
262
|
|
|
@@ -34,6 +34,8 @@ from pwem.protocols import ProtAnalysis3D
|
|
|
34
34
|
import pwem.emlib.metadata as md
|
|
35
35
|
from xmipp3.convert import readSetOfMicrographs, writeSetOfMicrographs
|
|
36
36
|
|
|
37
|
+
CITE ='Fernandez-Gimenez2023b'
|
|
38
|
+
|
|
37
39
|
|
|
38
40
|
class XmippProtAnalyzeLocalCTF(ProtAnalysis3D):
|
|
39
41
|
"""Assigns to each micrograph a coefficient (R2) which evaluates the result of the
|