From 39a9c093ad006ef67963a735e42f391128d57ff9 Mon Sep 17 00:00:00 2001 From: Artsemi Yushkevich Date: Wed, 25 Oct 2023 14:04:52 +0200 Subject: [PATCH 1/5] fix minor bugs --- modules/BinStacks.m | 20 ++++++++++++++------ 1 file changed, 14 insertions(+), 6 deletions(-) diff --git a/modules/BinStacks.m b/modules/BinStacks.m index 8d8645d..282b7a2 100644 --- a/modules/BinStacks.m +++ b/modules/BinStacks.m @@ -246,10 +246,15 @@ if obj.configuration.run_ctf_phaseflip == true tlt_file = getFilePathsFromLastBatchruntomoRun(obj.configuration, "rawtlt"); defocus_file = getFilePathsFromLastBatchruntomoRun(obj.configuration, "defocus"); - splitted_tilt_stack_path_name = strsplit(stack_output_path, "."); - ctf_corrected_stack_destination = splitted_tilt_stack_path_name(1)... + + [stack_filepath, stack_filename, stack_ext] = fileparts(stack_output_path); + %splitted_tilt_stack_path_name = strsplit(stack_output_path, "."); + %ctf_corrected_stack_destination = splitted_tilt_stack_path_name(1)... + % + "_" + obj.configuration.ctf_corrected_stack_suffix... + % + "." + splitted_tilt_stack_path_name(2); + ctf_corrected_stack_destination = stack_filepath + filesep + stack_filename... + "_" + obj.configuration.ctf_corrected_stack_suffix... - + "." + splitted_tilt_stack_path_name(2); + + stack_ext; command = "ctfphaseflip -input " + stack_output_path... + " -output " + ctf_corrected_stack_destination... @@ -263,9 +268,12 @@ + " -cs " + obj.configuration.spherical_aberation... + " -ampContrast " + obj.configuration.ampContrast; - if obj.configuration.use_aligned_stack == false - command = command + " -xform " + xf_file_destination; - end + % NOTE: if stack is aligned, no need to transform + % NOTE: if stack is non-aligned, no need to + % transform since it was not requested + %if obj.configuration.use_aligned_stack == false + % command = command + " -xform " + xf_file_destination; + %end if obj.configuration.set_up.gpu > 0 && versionGreaterThan(obj.configuration.environment_properties.imod_version, "4.10.9") command = command + " -gpu " + obj.configuration.set_up.gpu; From 39c77bb4dce3c32bef3adbf27aebac901bb97521 Mon Sep 17 00:00:00 2001 From: Artsemi Yushkevich Date: Wed, 25 Oct 2023 14:19:41 +0200 Subject: [PATCH 2/5] fix minor bugs --- modules/Reconstruct.m | 15 +++++++-------- 1 file changed, 7 insertions(+), 8 deletions(-) diff --git a/modules/Reconstruct.m b/modules/Reconstruct.m index 1a6b0b4..a742800 100644 --- a/modules/Reconstruct.m +++ b/modules/Reconstruct.m @@ -304,15 +304,14 @@ tlt_out = fopen(tlt_out_name, "w"); if obj.configuration.correct_angles == "center" - tlt_in = fopen(tlt_file{1}, "r"); - - tlt_out_name = obj.output_path + string(filesep) + name + ".tlt"; - tlt_out = fopen(tlt_out_name, "w"); - - high_tilt = fgetl(tlt_in); + high_tilt = str2double(fgetl(tlt_in)); % TODO:DIRTY -> code clean + low_tilt = high_tilt; while ~feof(tlt_in) - low_tilt = fgetl(tlt_in); + low_tilt_new = str2double(fgetl(tlt_in)); + if ~isnan(low_tilt_new) + low_tilt = low_tilt_new; + end end fclose(tlt_in); @@ -321,7 +320,7 @@ tlt_in = fopen(tlt_file{1}, "r"); while ~feof(tlt_in) % TODO: needs to be tested - tilt_adjusted = num2str(fgetl(tlt_in)) + shift; + tilt_adjusted = str2double(fgetl(tlt_in)) + shift; fprintf(tlt_out, "%.2f\n", tilt_adjusted); end elseif obj.configuration.correct_angles == "subtract" From d0674d7b7f3098dee968034c6f03c6ceec1a3eb0 Mon Sep 17 00:00:00 2001 From: Artsemi Yushkevich Date: Wed, 25 Oct 2023 14:20:02 +0200 Subject: [PATCH 3/5] fix minor bugs --- modules/AreTomo.m | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/modules/AreTomo.m b/modules/AreTomo.m index c8a607c..6701dce 100644 --- a/modules/AreTomo.m +++ b/modules/AreTomo.m @@ -94,7 +94,7 @@ if obj.configuration.correct_pretilt_flag ~= -1 tilt_axis_offset_command_snippet = " -TiltCor " + num2str(obj.configuration.correct_pretilt_flag); pretilt_angle_to_use = -obj.configuration.pretilt_tilt_axis; - if pretilt_angle_to_use == 0 + if pretilt_angle_to_use ~= 0 tilt_axis_offset_command_snippet = tilt_axis_offset_command_snippet + " " + num2str(pretilt_angle_to_use); end else @@ -125,7 +125,7 @@ + ") is lower than required input_stack_binning (=" + num2str(obj.configuration.input_stack_binning) + ") !"); end - stack_source = string(tilt_stacks(obj.configuration.set_up.adjusted_j).folder) + string(filesep) + string(tilt_stacks(obj.configuration.set_up.adjusted_j).name); + stack_source = string(tilt_stacks(obj.configuration.set_up.j).folder) + string(filesep) + string(tilt_stacks(obj.configuration.set_up.j).name); % Generate aligned stack of the requested binning level stack_destination = obj.output_path + filesep + obj.name + ".ali"; @@ -194,7 +194,7 @@ % Generate aligned unbinned stack using alignment parameters % previously detected at the requested binning level tilt_stacks = getTiltStacksFromStandardFolder(obj.configuration, true); - stack_source = string(tilt_stacks(obj.configuration.set_up.adjusted_j).folder) + string(filesep) + string(tilt_stacks(obj.configuration.set_up.adjusted_j).name); + stack_source = string(tilt_stacks(obj.configuration.set_up.j).folder) + string(filesep) + string(tilt_stacks(obj.configuration.set_up.j).name); stack_destination_unbinned = obj.output_path + filesep + obj.name + "_bin_" + num2str(1) + ".ali"; if obj.configuration.use_previous_alignment == false From a05b6b3417078ff85be0576974be1eeafd9a45ca Mon Sep 17 00:00:00 2001 From: Artsemi Yushkevich Date: Wed, 25 Oct 2023 14:33:59 +0200 Subject: [PATCH 4/5] add updated pipeline scheme --- images/pipeline_upd.png | Bin 0 -> 87051 bytes 1 file changed, 0 insertions(+), 0 deletions(-) create mode 100644 images/pipeline_upd.png diff --git a/images/pipeline_upd.png b/images/pipeline_upd.png new file mode 100644 index 0000000000000000000000000000000000000000..4e10b8afc7c6ed1d937967ae19f0a6fa6d386f24 GIT binary patch literal 87051 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ziFDJZ`CIB+kI%YhUH8uHfn24BMa{A2Oa%@Sa}gG|QV>>-Kkn26qCOn+fyN_kD1C5KS!IQzZ{}o`ZDp^i`HvbWC9o_z4 b1$HaJtVm*pdm|@E2v}CP>~E6I?j-&LjwO6b literal 0 HcmV?d00001 From 4171433a78edefa2f6d5fd6e8a40b78a89355d76 Mon Sep 17 00:00:00 2001 From: Artsemi Yushkevich Date: Wed, 25 Oct 2023 14:34:23 +0200 Subject: [PATCH 5/5] upd front page (pub+pic) --- README.md | 8 ++++---- 1 file changed, 4 insertions(+), 4 deletions(-) diff --git a/README.md b/README.md index be69fd0..1492a1d 100644 --- a/README.md +++ b/README.md @@ -6,11 +6,11 @@ ![TomoBEAR Social Media Logo Image](images/TomoBEAR_gitlogo.png) -Implementation details and benchmarks you can find in our preprint: -
Balyschew N, Yushkevich A, Mikirtumov V, Sanchez RM, Sprink T, Kudryashev M. Streamlined Structure Determination by Cryo-Electron Tomography and Subtomogram Averaging using TomoBEAR. **[Preprint]** 2023. bioRxiv doi: [10.1101/2023.01.10.523437](https://www.biorxiv.org/content/10.1101/2023.01.10.523437v1) +Implementation details and benchmarks you can find in our publication: +
Balyschew N, Yushkevich A, Mikirtumov V, Sanchez RM, Sprink T, Kudryashev M. Streamlined Structure Determination by Cryo-Electron Tomography and Subtomogram Averaging using TomoBEAR. *Nat Commun* **14**, 6543 (2023). doi: [10.1038/s41467-023-42085-w](https://www.nature.com/articles/s41467-023-42085-w) > **Warning** ->
This software is currently in pre-release state. New features may still appear and refactoring may still take place between all the current and future 0.x.y versions until 1.0.0 will be ready to be released. +>
This software is currently in pre-release state. New features may still appear and refactoring may still take place between all the current and future 0.x.y versions until 1.0.0 will be ready to be released. Binaries are not currently shipped. ## Contents @@ -36,7 +36,7 @@ We have prepared a range of short (8-12 min) video-tutorials explaining setup, u In the following picture you can see a flow chart of the main `TomoBEAR` processing steps. As the basic input data you can use raw frame movies or already assembled tilt stacks. More on input formats you [can read here](https://github.com/KudryashevLab/TomoBEAR/wiki/Usage.md#input-data-file-formats). -![Schematic Pipeline Image](images/pipeline_simplified.png) +![Schematic Pipeline Image](images/pipeline_upd.png) Blue boxes outline the steps that are performed fully automatically, green boxes may require human intervention. The steps encapsulated in the red frame represent the functionality of live data processing. More detailed diagram [is located on wiki](https://github.com/KudryashevLab/TomoBEAR/wiki).