bioroebe 0.10.80 → 0.12.12
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.
Potentially problematic release.
This version of bioroebe might be problematic. Click here for more details.
- checksums.yaml +4 -4
- data/README.md +3612 -2781
- data/bin/bioroebe +7 -1
- data/bin/bioroebe_hash +7 -0
- data/bin/codon_to_aminoacid +1 -0
- data/bioroebe.gemspec +3 -3
- data/doc/README.gen +3612 -2742
- data/doc/quality_control/commandline_applications.md +3 -3
- data/doc/todo/bioroebe_java_todo.md +22 -0
- data/doc/todo/bioroebe_todo.md +2059 -2615
- data/lib/bioroebe/aminoacids/aminoacid_substitution.rb +1 -9
- data/lib/bioroebe/aminoacids/codon_percentage.rb +1 -9
- data/lib/bioroebe/aminoacids/deduce_aminoacid_sequence.rb +1 -9
- data/lib/bioroebe/aminoacids/display_aminoacid_table.rb +1 -0
- data/lib/bioroebe/aminoacids/show_hydrophobicity.rb +1 -6
- data/lib/bioroebe/base/colours_for_base/colours_for_base.rb +18 -8
- data/lib/bioroebe/base/commandline_application/commandline_arguments.rb +15 -11
- data/lib/bioroebe/base/commandline_application/misc.rb +66 -49
- data/lib/bioroebe/base/commandline_application/opn.rb +8 -8
- data/lib/bioroebe/base/commandline_application/reset.rb +3 -2
- data/lib/bioroebe/base/misc.rb +35 -0
- data/lib/bioroebe/base/prototype/misc.rb +11 -1
- data/lib/bioroebe/codon_tables/frequencies/parse_frequency_table.rb +2 -10
- data/lib/bioroebe/codons/codons.rb +1 -1
- data/lib/bioroebe/codons/convert_this_codon_to_that_aminoacid.rb +192 -58
- data/lib/bioroebe/codons/possible_codons_for_this_aminoacid.rb +1 -9
- data/lib/bioroebe/codons/show_codon_tables.rb +6 -2
- data/lib/bioroebe/codons/show_codon_usage.rb +15 -4
- data/lib/bioroebe/colours/rev.rb +4 -1
- data/lib/bioroebe/constants/aminoacids_and_proteins.rb +1 -0
- data/lib/bioroebe/constants/database_constants.rb +1 -1
- data/lib/bioroebe/constants/files_and_directories.rb +31 -4
- data/lib/bioroebe/constants/misc.rb +20 -0
- data/lib/bioroebe/conversions/dna_to_aminoacid_sequence.rb +58 -24
- data/lib/bioroebe/count/count_amount_of_aminoacids.rb +3 -2
- data/lib/bioroebe/count/count_amount_of_nucleotides.rb +3 -0
- data/lib/bioroebe/crystal/README.md +2 -0
- data/lib/bioroebe/crystal/to_rna.cr +19 -0
- data/lib/bioroebe/data/README.md +11 -8
- data/lib/bioroebe/data/electron_microscopy/pos_example.pos +396 -0
- data/lib/bioroebe/data/electron_microscopy/test_particles.star +36 -0
- data/lib/bioroebe/data/fasta/human/Homo_sapiens_hemoglobin_subunit_alpha_HBB_mRNA.fasta +9 -0
- data/lib/bioroebe/data/fasta/human/Homo_sapiens_hemoglobin_subunit_beta_HBB_mRNA.fasta +8 -0
- data/lib/bioroebe/data/fasta/human/README.md +2 -0
- data/lib/bioroebe/electron_microscopy/coordinate_analyzer.rb +15 -18
- data/lib/bioroebe/{fasta_and_fastq/parse_fasta/run.rb → electron_microscopy/electron_microscopy_module.rb} +16 -8
- data/lib/bioroebe/electron_microscopy/fix_pos_file.rb +1 -9
- data/lib/bioroebe/electron_microscopy/flipy.rb +83 -0
- data/lib/bioroebe/electron_microscopy/parse_coordinates.rb +2 -10
- data/lib/bioroebe/electron_microscopy/read_file_xmd.rb +1 -9
- data/lib/bioroebe/electron_microscopy/simple_star_file_generator.rb +4 -9
- data/lib/bioroebe/enzymes/has_this_restriction_enzyme.rb +10 -3
- data/lib/bioroebe/enzymes/restriction_enzyme.rb +23 -1
- data/lib/bioroebe/enzymes/restriction_enzymes/statistics.rb +65 -0
- data/lib/bioroebe/fasta_and_fastq/autocorrect_the_name_of_this_fasta_file.rb +1 -9
- data/lib/bioroebe/fasta_and_fastq/compact_fasta_file/compact_fasta_file.rb +7 -9
- data/lib/bioroebe/fasta_and_fastq/fasta_defline/fasta_defline.rb +1 -5
- data/lib/bioroebe/fasta_and_fastq/fasta_to_yaml/fasta_to_yaml.rb +81 -0
- data/lib/bioroebe/fasta_and_fastq/parse_fasta/parse_fasta.rb +1465 -7
- data/lib/bioroebe/fasta_and_fastq/return_fasta_subsection_of_this_file.rb +11 -2
- data/lib/bioroebe/fasta_and_fastq/show_fasta_headers.rb +27 -12
- data/lib/bioroebe/fasta_and_fastq/simplify_fasta_header/simplify_fasta_header.rb +1 -5
- data/lib/bioroebe/fasta_and_fastq/split_this_fasta_file_into_chromosomes/constants.rb +0 -5
- data/lib/bioroebe/genome/README.md +4 -0
- data/lib/bioroebe/genome/genome.rb +67 -0
- data/lib/bioroebe/genomes/genome_pattern.rb +3 -9
- data/lib/bioroebe/gui/gtk +1 -0
- data/lib/bioroebe/gui/gtk3/alignment/alignment.rb +73 -128
- data/lib/bioroebe/gui/gtk3/controller/controller.rb +45 -27
- data/lib/bioroebe/gui/gtk3/dna_to_aminoacid_widget/dna_to_aminoacid_widget.rb +76 -50
- data/lib/bioroebe/gui/gtk3/fasta_table_widget/fasta_table_widget.rb +99 -21
- data/lib/bioroebe/gui/gtk3/hamming_distance/hamming_distance.rb +42 -28
- data/lib/bioroebe/gui/gtk3/nucleotide_analyser/nucleotide_analyser.rb +119 -71
- data/lib/bioroebe/gui/gtk3/protein_to_DNA/protein_to_DNA.rb +18 -18
- data/lib/bioroebe/gui/gtk3/random_sequence/random_sequence.rb +19 -11
- data/lib/bioroebe/gui/jruby/alignment/alignment.rb +165 -0
- data/lib/bioroebe/gui/libui/alignment/alignment.rb +3 -1
- data/lib/bioroebe/gui/libui/controller/controller.rb +116 -0
- data/lib/bioroebe/gui/libui/random_sequence/random_sequence.rb +18 -2
- data/lib/bioroebe/gui/libui/show_codon_table/show_codon_table.rb +2 -0
- data/lib/bioroebe/gui/libui/three_to_one/three_to_one.rb +8 -6
- data/lib/bioroebe/gui/shared_code/alignment/alignment_module.rb +102 -0
- data/lib/bioroebe/gui/shared_code/levensthein_distance/levensthein_distance_module.rb +18 -16
- data/lib/bioroebe/gui/shared_code/protein_to_DNA/protein_to_DNA_module.rb +14 -14
- data/lib/bioroebe/gui/swing/three_to_one/ThreeToOne$1.class +0 -0
- data/lib/bioroebe/gui/swing/three_to_one/ThreeToOne$CloseListener.class +0 -0
- data/lib/bioroebe/gui/swing/three_to_one/ThreeToOne.class +0 -0
- data/lib/bioroebe/gui/swing/three_to_one/ThreeToOne.java +141 -0
- data/lib/bioroebe/images/FORWARD_PRIMER.png +0 -0
- data/lib/bioroebe/images/REVERSE_PRIMER.png +0 -0
- data/lib/bioroebe/java/README.md +4 -0
- data/lib/bioroebe/java/bioroebe/Sequence.java +25 -1
- data/lib/bioroebe/java/bioroebe/src/main/java/bioroebe/Base.class +0 -0
- data/lib/bioroebe/java/bioroebe/{Base.java → src/main/java/bioroebe/Base.java} +15 -2
- data/lib/bioroebe/java/bioroebe/{BisulfiteTreatment.class → src/main/java/bioroebe/BisulfiteTreatment.class} +0 -0
- data/lib/bioroebe/java/bioroebe/{Codons.class → src/main/java/bioroebe/Codons.class} +0 -0
- data/lib/bioroebe/java/bioroebe/src/main/java/bioroebe/Codons.java +34 -0
- data/lib/bioroebe/java/bioroebe/src/main/java/bioroebe/Commandline.class +0 -0
- data/lib/bioroebe/java/bioroebe/src/main/java/bioroebe/Commandline.java +101 -0
- data/lib/bioroebe/java/bioroebe/{GenerateRandomDnaSequence.class → src/main/java/bioroebe/GenerateRandomDnaSequence.class} +0 -0
- data/lib/bioroebe/java/bioroebe/{GenerateRandomDnaSequence.java → src/main/java/bioroebe/GenerateRandomDnaSequence.java} +8 -2
- data/lib/bioroebe/java/bioroebe/{IsPalindrome.class → src/main/java/bioroebe/IsPalindrome.class} +0 -0
- data/lib/bioroebe/java/bioroebe/{IsPalindrome.java → src/main/java/bioroebe/IsPalindrome.java} +5 -1
- data/lib/bioroebe/java/bioroebe/src/main/java/bioroebe/PartnerNucleotide.class +0 -0
- data/lib/bioroebe/java/bioroebe/src/main/java/bioroebe/PartnerNucleotide.java +56 -0
- data/lib/bioroebe/java/bioroebe/{RemoveFile.java → src/main/java/bioroebe/RemoveFile.java} +10 -4
- data/lib/bioroebe/java/bioroebe/{RemoveNumbers.class → src/main/java/bioroebe/RemoveNumbers.class} +0 -0
- data/lib/bioroebe/java/bioroebe/{RemoveNumbers.java → src/main/java/bioroebe/RemoveNumbers.java} +1 -0
- data/lib/bioroebe/java/bioroebe/{ToCamelcase.class → src/main/java/bioroebe/ToCamelcase.class} +0 -0
- data/lib/bioroebe/java/bioroebe/{ToCamelcase.java → src/main/java/bioroebe/ToCamelcase.java} +3 -3
- data/lib/bioroebe/java/bioroebe/src/main/java/bioroebe/ToRNA.class +0 -0
- data/lib/bioroebe/java/bioroebe/src/main/java/bioroebe/ToRNA.java +42 -0
- data/lib/bioroebe/java/bioroebe/src/main/java/bioroebe/toplevel_methods/BaseComposition.class +0 -0
- data/lib/bioroebe/java/bioroebe/src/main/java/bioroebe/toplevel_methods/BaseComposition.java +75 -0
- data/lib/bioroebe/misc/ruler.rb +11 -2
- data/lib/bioroebe/nucleotides/most_likely_nucleotide_sequence_for_this_aminoacid_sequence.rb +1 -9
- data/lib/bioroebe/nucleotides/show_nucleotide_sequence.rb +7 -7
- data/lib/bioroebe/parsers/genbank_parser.rb +347 -26
- data/lib/bioroebe/parsers/gff.rb +1 -9
- data/lib/bioroebe/patterns/scan_for_repeat.rb +1 -5
- data/lib/bioroebe/pdb/fetch_fasta_sequence_from_pdb.rb +1 -9
- data/lib/bioroebe/pdb/parse_mmCIF_file.rb +1 -9
- data/lib/bioroebe/pdb/parse_pdb_file.rb +4 -10
- data/lib/bioroebe/project/project.rb +1 -1
- data/lib/bioroebe/python/README.md +1 -0
- data/lib/bioroebe/python/__pycache__/mymodule.cpython-39.pyc +0 -0
- data/lib/bioroebe/python/gui/gtk3/all_in_one.css +4 -0
- data/lib/bioroebe/python/gui/gtk3/all_in_one.py +59 -0
- data/lib/bioroebe/python/gui/gtk3/widget1.py +20 -0
- data/lib/bioroebe/python/gui/tkinter/all_in_one.py +91 -0
- data/lib/bioroebe/python/mymodule.py +8 -0
- data/lib/bioroebe/python/protein_to_dna.py +33 -0
- data/lib/bioroebe/python/shell/shell.py +19 -0
- data/lib/bioroebe/python/to_rna.py +14 -0
- data/lib/bioroebe/python/toplevel_methods/esystem.py +12 -0
- data/lib/bioroebe/python/toplevel_methods/open_in_browser.py +20 -0
- data/lib/bioroebe/python/toplevel_methods/palindromes.py +42 -0
- data/lib/bioroebe/python/toplevel_methods/rds.py +13 -0
- data/lib/bioroebe/python/toplevel_methods/shuffleseq.py +23 -0
- data/lib/bioroebe/python/toplevel_methods/three_delimiter.py +37 -0
- data/lib/bioroebe/python/toplevel_methods/time_and_date.py +43 -0
- data/lib/bioroebe/python/toplevel_methods/to_camelcase.py +21 -0
- data/lib/bioroebe/requires/require_the_bioroebe_project.rb +3 -1
- data/lib/bioroebe/sequence/alignment.rb +14 -4
- data/lib/bioroebe/sequence/dna.rb +1 -0
- data/lib/bioroebe/sequence/nucleotide_module/nucleotide_module.rb +28 -25
- data/lib/bioroebe/sequence/protein.rb +105 -3
- data/lib/bioroebe/sequence/sequence.rb +87 -21
- data/lib/bioroebe/shell/menu.rb +3829 -3714
- data/lib/bioroebe/shell/misc.rb +59 -4307
- data/lib/bioroebe/shell/readline/readline.rb +1 -1
- data/lib/bioroebe/shell/shell.rb +11255 -28
- data/lib/bioroebe/siRNA/siRNA.rb +81 -1
- data/lib/bioroebe/string_matching/find_longest_substring.rb +3 -2
- data/lib/bioroebe/string_matching/hamming_distance.rb +1 -9
- data/lib/bioroebe/taxonomy/class_methods.rb +3 -8
- data/lib/bioroebe/taxonomy/constants.rb +4 -3
- data/lib/bioroebe/taxonomy/edit.rb +2 -1
- data/lib/bioroebe/taxonomy/help/help.rb +10 -10
- data/lib/bioroebe/taxonomy/help/helpline.rb +2 -2
- data/lib/bioroebe/taxonomy/info/check_available.rb +15 -9
- data/lib/bioroebe/taxonomy/info/info.rb +18 -11
- data/lib/bioroebe/taxonomy/info/is_dna.rb +46 -36
- data/lib/bioroebe/taxonomy/interactive.rb +140 -104
- data/lib/bioroebe/taxonomy/menu.rb +27 -18
- data/lib/bioroebe/taxonomy/parse_fasta.rb +3 -1
- data/lib/bioroebe/taxonomy/shared.rb +1 -0
- data/lib/bioroebe/taxonomy/taxonomy.rb +1 -0
- data/lib/bioroebe/toplevel_methods/aminoacids_and_proteins.rb +31 -24
- data/lib/bioroebe/toplevel_methods/colourize_related_methods.rb +164 -0
- data/lib/bioroebe/toplevel_methods/databases.rb +1 -1
- data/lib/bioroebe/toplevel_methods/digest.rb +18 -8
- data/lib/bioroebe/toplevel_methods/fasta_and_fastq.rb +107 -63
- data/lib/bioroebe/toplevel_methods/file_and_directory_related_actions.rb +14 -2
- data/lib/bioroebe/toplevel_methods/frequencies.rb +8 -1
- data/lib/bioroebe/toplevel_methods/misc.rb +142 -12
- data/lib/bioroebe/toplevel_methods/nucleotides.rb +118 -46
- data/lib/bioroebe/toplevel_methods/open_in_browser.rb +2 -0
- data/lib/bioroebe/toplevel_methods/palindromes.rb +1 -2
- data/lib/bioroebe/toplevel_methods/taxonomy.rb +2 -2
- data/lib/bioroebe/toplevel_methods/to_camelcase.rb +5 -0
- data/lib/bioroebe/utility_scripts/align_open_reading_frames.rb +1 -9
- data/lib/bioroebe/utility_scripts/check_for_mismatches/check_for_mismatches.rb +1 -9
- data/lib/bioroebe/utility_scripts/compacter.rb +1 -9
- data/lib/bioroebe/utility_scripts/compseq/compseq.rb +1 -9
- data/lib/bioroebe/utility_scripts/consensus_sequence.rb +6 -6
- data/lib/bioroebe/utility_scripts/create_batch_entrez_file.rb +1 -9
- data/lib/bioroebe/utility_scripts/dot_alignment.rb +1 -9
- data/lib/bioroebe/utility_scripts/move_file_to_its_correct_location.rb +1 -4
- data/lib/bioroebe/utility_scripts/parse_taxonomy.rb +2 -2
- data/lib/bioroebe/utility_scripts/showorf/constants.rb +0 -5
- data/lib/bioroebe/utility_scripts/showorf/reset.rb +1 -4
- data/lib/bioroebe/version/version.rb +2 -2
- data/lib/bioroebe/www/embeddable_interface.rb +103 -54
- data/lib/bioroebe/www/sinatra/sinatra.rb +186 -70
- data/lib/bioroebe/yaml/aminoacids/amino_acids_long_name_to_one_letter.yml +2 -2
- data/lib/bioroebe/yaml/configuration/browser.yml +1 -1
- data/lib/bioroebe/yaml/configuration/temp_dir.yml +1 -1
- data/lib/bioroebe/yaml/genomes/README.md +3 -4
- data/lib/bioroebe/yaml/restriction_enzymes/restriction_enzymes.yml +27 -27
- metadata +81 -64
- data/doc/setup.rb +0 -1655
- data/lib/bioroebe/fasta_and_fastq/parse_fasta/constants.rb +0 -50
- data/lib/bioroebe/fasta_and_fastq/parse_fasta/initialize.rb +0 -86
- data/lib/bioroebe/fasta_and_fastq/parse_fasta/menu.rb +0 -117
- data/lib/bioroebe/fasta_and_fastq/parse_fasta/misc.rb +0 -981
- data/lib/bioroebe/fasta_and_fastq/parse_fasta/report.rb +0 -156
- data/lib/bioroebe/fasta_and_fastq/parse_fasta/reset.rb +0 -128
- data/lib/bioroebe/genbank/genbank_parser.rb +0 -291
- data/lib/bioroebe/java/bioroebe/Base.class +0 -0
- data/lib/bioroebe/java/bioroebe/Codons.java +0 -22
- data/lib/bioroebe/java/bioroebe/PartnerNucleotide.class +0 -0
- data/lib/bioroebe/java/bioroebe/PartnerNucleotide.java +0 -19
- data/lib/bioroebe/java/bioroebe.jar +0 -0
- data/lib/bioroebe/shell/add.rb +0 -108
- data/lib/bioroebe/shell/assign.rb +0 -360
- data/lib/bioroebe/shell/chop_and_cut.rb +0 -281
- data/lib/bioroebe/shell/constants.rb +0 -166
- data/lib/bioroebe/shell/download.rb +0 -335
- data/lib/bioroebe/shell/enable_and_disable.rb +0 -158
- data/lib/bioroebe/shell/enzymes.rb +0 -310
- data/lib/bioroebe/shell/fasta.rb +0 -345
- data/lib/bioroebe/shell/gtk.rb +0 -76
- data/lib/bioroebe/shell/history.rb +0 -132
- data/lib/bioroebe/shell/initialize.rb +0 -217
- data/lib/bioroebe/shell/loop.rb +0 -74
- data/lib/bioroebe/shell/prompt.rb +0 -107
- data/lib/bioroebe/shell/random.rb +0 -289
- data/lib/bioroebe/shell/reset.rb +0 -335
- data/lib/bioroebe/shell/scan_and_parse.rb +0 -135
- data/lib/bioroebe/shell/search.rb +0 -337
- data/lib/bioroebe/shell/sequences.rb +0 -200
- data/lib/bioroebe/shell/show_report_and_display.rb +0 -2901
- data/lib/bioroebe/shell/startup.rb +0 -127
- data/lib/bioroebe/shell/taxonomy.rb +0 -14
- data/lib/bioroebe/shell/tk.rb +0 -23
- data/lib/bioroebe/shell/user_input.rb +0 -88
- data/lib/bioroebe/shell/xorg.rb +0 -45
- /data/lib/bioroebe/java/bioroebe/{BisulfiteTreatment.java → src/main/java/bioroebe/BisulfiteTreatment.java} +0 -0
- /data/lib/bioroebe/java/bioroebe/{Esystem.class → src/main/java/bioroebe/Esystem.class} +0 -0
- /data/lib/bioroebe/java/bioroebe/{Esystem.java → src/main/java/bioroebe/Esystem.java} +0 -0
- /data/lib/bioroebe/java/bioroebe/{RemoveFile.class → src/main/java/bioroebe/RemoveFile.class} +0 -0
@@ -143,7 +143,8 @@ class CountAmountOfAminoacids < ::Bioroebe::CommandlineApplication # === Bioroeb
|
|
143
143
|
# ======================================================================= #
|
144
144
|
if @be_verbose
|
145
145
|
erev "This protein (#{yellow(n_members.to_s)}#{rev} aminoacids) has "\
|
146
|
-
"the following aminoacid composition
|
146
|
+
"#{olivedrab('the following aminoacid composition')}#{rev} "\
|
147
|
+
"(Frame 1)."; e
|
147
148
|
end
|
148
149
|
sorted = @hash.sort_by(&:first)
|
149
150
|
sorted.each {|key, value|
|
@@ -158,7 +159,7 @@ class CountAmountOfAminoacids < ::Bioroebe::CommandlineApplication # === Bioroeb
|
|
158
159
|
') ('+name_of_the_aminoacid+')' if @be_verbose
|
159
160
|
}
|
160
161
|
if @be_verbose
|
161
|
-
report_how_many_aminoacids_we_have_found
|
162
|
+
report_how_many_aminoacids_we_have_found; e
|
162
163
|
report_the_molecular_mass_of_these_aminoacids
|
163
164
|
report_the_number_of_negatively_and_positively_charged_residues
|
164
165
|
report_the_atomic_composition
|
@@ -425,6 +425,9 @@ class CountAmountOfNucleotides < ::Bioroebe::CommandlineApplication # === Bioroe
|
|
425
425
|
if File.exist? i.to_s
|
426
426
|
i = File.read(i.to_s).strip.delete(N)
|
427
427
|
end
|
428
|
+
if i.is_a? Array
|
429
|
+
i = i.join(' ').strip
|
430
|
+
end
|
428
431
|
i = i.to_s.dup if i.frozen?
|
429
432
|
i.upcase! # Want to keep it upcased.
|
430
433
|
@dna_string = i
|
@@ -0,0 +1,19 @@
|
|
1
|
+
module Bioroebe
|
2
|
+
|
3
|
+
# ========================================================================= #
|
4
|
+
# === Bioroebe.to_rna
|
5
|
+
# ========================================================================= #
|
6
|
+
def self.to_rna(i = ARGV)
|
7
|
+
if i.is_a? Array
|
8
|
+
i = i.first?
|
9
|
+
end
|
10
|
+
if i.nil? || i.empty?
|
11
|
+
return i
|
12
|
+
else
|
13
|
+
return i.gsub("T","U")
|
14
|
+
end
|
15
|
+
end
|
16
|
+
|
17
|
+
end
|
18
|
+
|
19
|
+
puts Bioroebe.to_rna(ARGV)
|
data/lib/bioroebe/data/README.md
CHANGED
@@ -1,10 +1,13 @@
|
|
1
|
-
This directory may contain some FASTA files or .pdb files, as
|
2
|
-
|
3
|
-
|
1
|
+
This directory may contain some FASTA files or .pdb files, as that may
|
2
|
+
be of help of people who end up using the BioRoebe project.
|
3
|
+
|
4
|
+
That dataset can be quickly tested and used to demonstrate how the
|
5
|
+
BioRoebe project works.
|
6
|
+
|
7
|
+
In the pdb/ directory there is presently only one .pdb file. This
|
8
|
+
file is used mostly for a test .rb file in the test/ directory.
|
9
|
+
|
10
|
+
The directory electron_microscopy/ is used primarily for cryo-electron
|
11
|
+
microscopy and what not, using software such as relion.
|
4
12
|
|
5
|
-
That dataset can be quickly tested and used to demonstrate how
|
6
|
-
the BioRoebe project works.
|
7
13
|
|
8
|
-
In the pdb/ directory there is presently only one .pdb file.
|
9
|
-
This file is used mostly for a test .rb file in the test/
|
10
|
-
directory.
|
@@ -0,0 +1,396 @@
|
|
1
|
+
# XMIPP_STAR_1 *
|
2
|
+
#
|
3
|
+
data_mic_1_36kx_4
|
4
|
+
loop_
|
5
|
+
_xcoor
|
6
|
+
_ycoor
|
7
|
+
_cost
|
8
|
+
2950 48 2.000000
|
9
|
+
2965 69 2.000000
|
10
|
+
2991 65 2.000000
|
11
|
+
2927 346 2.000000
|
12
|
+
2961 368 2.000000
|
13
|
+
3043 421 2.000000
|
14
|
+
3092 311 2.000000
|
15
|
+
3067 306 2.000000
|
16
|
+
3075 271 2.000000
|
17
|
+
3064 256 2.000000
|
18
|
+
3115 357 2.000000
|
19
|
+
2854 466 2.000000
|
20
|
+
2886 510 2.000000
|
21
|
+
2902 474 2.000000
|
22
|
+
3036 563 2.000000
|
23
|
+
3030 579 2.000000
|
24
|
+
2890 755 2.000000
|
25
|
+
2926 755 2.000000
|
26
|
+
2972 730 2.000000
|
27
|
+
2466 394 2.000000
|
28
|
+
2444 421 2.000000
|
29
|
+
2468 438 2.000000
|
30
|
+
2486 400 2.000000
|
31
|
+
2352 440 2.000000
|
32
|
+
2359 266 2.000000
|
33
|
+
2368 293 2.000000
|
34
|
+
2407 286 2.000000
|
35
|
+
2347 168 2.000000
|
36
|
+
2361 136 2.000000
|
37
|
+
2368 110 2.000000
|
38
|
+
2358 90 2.000000
|
39
|
+
2326 86 2.000000
|
40
|
+
2161 166 2.000000
|
41
|
+
2155 139 2.000000
|
42
|
+
2129 152 2.000000
|
43
|
+
2126 184 2.000000
|
44
|
+
2028 141 2.000000
|
45
|
+
2036 112 2.000000
|
46
|
+
2000 104 2.000000
|
47
|
+
2018 74 2.000000
|
48
|
+
1970 66 2.000000
|
49
|
+
1960 45 2.000000
|
50
|
+
1940 57 2.000000
|
51
|
+
2005 26 2.000000
|
52
|
+
1686 190 2.000000
|
53
|
+
1667 216 2.000000
|
54
|
+
1628 210 2.000000
|
55
|
+
1688 238 2.000000
|
56
|
+
1707 215 2.000000
|
57
|
+
1678 262 2.000000
|
58
|
+
1836 368 2.000000
|
59
|
+
1861 404 2.000000
|
60
|
+
2092 256 2.000000
|
61
|
+
2223 308 2.000000
|
62
|
+
2219 338 2.000000
|
63
|
+
2244 326 2.000000
|
64
|
+
2270 324 2.000000
|
65
|
+
2181 438 2.000000
|
66
|
+
2271 452 2.000000
|
67
|
+
2281 676 2.000000
|
68
|
+
2253 748 2.000000
|
69
|
+
2100 684 2.000000
|
70
|
+
2068 700 2.000000
|
71
|
+
2083 731 2.000000
|
72
|
+
2102 805 2.000000
|
73
|
+
2354 856 2.000000
|
74
|
+
2384 860 2.000000
|
75
|
+
2508 822 2.000000
|
76
|
+
2545 839 2.000000
|
77
|
+
2531 869 2.000000
|
78
|
+
2551 886 2.000000
|
79
|
+
2585 892 2.000000
|
80
|
+
2580 916 2.000000
|
81
|
+
2597 872 2.000000
|
82
|
+
2624 859 2.000000
|
83
|
+
2573 1103 2.000000
|
84
|
+
2529 1125 2.000000
|
85
|
+
2562 1132 2.000000
|
86
|
+
3109 913 2.000000
|
87
|
+
3138 894 2.000000
|
88
|
+
3159 910 2.000000
|
89
|
+
3162 877 2.000000
|
90
|
+
3167 853 2.000000
|
91
|
+
1744 946 2.000000
|
92
|
+
1755 618 2.000000
|
93
|
+
2048 1063 2.000000
|
94
|
+
1499 131 2.000000
|
95
|
+
1497 101 2.000000
|
96
|
+
1530 75 2.000000
|
97
|
+
1244 117 2.000000
|
98
|
+
1227 54 2.000000
|
99
|
+
1097 464 2.000000
|
100
|
+
915 547 2.000000
|
101
|
+
757 519 2.000000
|
102
|
+
755 540 2.000000
|
103
|
+
782 528 2.000000
|
104
|
+
810 747 2.000000
|
105
|
+
790 769 2.000000
|
106
|
+
829 759 2.000000
|
107
|
+
1355 767 2.000000
|
108
|
+
1480 590 2.000000
|
109
|
+
1505 585 2.000000
|
110
|
+
1631 838 2.000000
|
111
|
+
1587 854 2.000000
|
112
|
+
1479 911 2.000000
|
113
|
+
1460 925 2.000000
|
114
|
+
1074 1064 2.000000
|
115
|
+
1097 1120 2.000000
|
116
|
+
1055 1151 2.000000
|
117
|
+
1017 1159 2.000000
|
118
|
+
1027 1185 2.000000
|
119
|
+
2192 884 2.000000
|
120
|
+
1606 530 2.000000
|
121
|
+
1688 510 2.000000
|
122
|
+
668 728 2.000000
|
123
|
+
664 749 2.000000
|
124
|
+
732 1000 2.000000
|
125
|
+
764 1023 2.000000
|
126
|
+
788 972 2.000000
|
127
|
+
817 964 2.000000
|
128
|
+
839 980 2.000000
|
129
|
+
940 947 2.000000
|
130
|
+
950 924 2.000000
|
131
|
+
441 184 2.000000
|
132
|
+
429 232 2.000000
|
133
|
+
689 288 2.000000
|
134
|
+
697 317 2.000000
|
135
|
+
722 298 2.000000
|
136
|
+
740 328 2.000000
|
137
|
+
256 406 2.000000
|
138
|
+
280 420 2.000000
|
139
|
+
316 433 2.000000
|
140
|
+
240 496 2.000000
|
141
|
+
406 527 2.000000
|
142
|
+
440 563 2.000000
|
143
|
+
200 690 2.000000
|
144
|
+
201 710 2.000000
|
145
|
+
228 715 2.000000
|
146
|
+
227 692 2.000000
|
147
|
+
259 714 2.000000
|
148
|
+
93 745 2.000000
|
149
|
+
86 784 2.000000
|
150
|
+
544 712 2.000000
|
151
|
+
550 735 2.000000
|
152
|
+
540 628 2.000000
|
153
|
+
571 600 2.000000
|
154
|
+
926 632 2.000000
|
155
|
+
937 662 2.000000
|
156
|
+
1374 208 2.000000
|
157
|
+
1295 131 2.000000
|
158
|
+
757 90 2.000000
|
159
|
+
1337 903 2.000000
|
160
|
+
1417 770 2.000000
|
161
|
+
296 962 2.000000
|
162
|
+
284 991 2.000000
|
163
|
+
241 899 2.000000
|
164
|
+
258 880 2.000000
|
165
|
+
33 982 2.000000
|
166
|
+
24 1007 2.000000
|
167
|
+
100 1029 2.000000
|
168
|
+
158 1149 2.000000
|
169
|
+
190 1188 2.000000
|
170
|
+
240 1205 2.000000
|
171
|
+
309 1100 2.000000
|
172
|
+
328 1144 2.000000
|
173
|
+
1230 1118 2.000000
|
174
|
+
1219 1158 2.000000
|
175
|
+
1402 960 2.000000
|
176
|
+
1300 812 2.000000
|
177
|
+
1436 715 2.000000
|
178
|
+
1289 721 2.000000
|
179
|
+
1328 464 2.000000
|
180
|
+
1441 401 2.000000
|
181
|
+
481 234 2.000000
|
182
|
+
474 257 2.000000
|
183
|
+
561 351 2.000000
|
184
|
+
600 350 2.000000
|
185
|
+
594 370 2.000000
|
186
|
+
444 431 2.000000
|
187
|
+
88 629 2.000000
|
188
|
+
91 845 2.000000
|
189
|
+
109 875 2.000000
|
190
|
+
126 840 2.000000
|
191
|
+
145 847 2.000000
|
192
|
+
185 1022 2.000000
|
193
|
+
342 829 2.000000
|
194
|
+
1112 782 2.000000
|
195
|
+
1169 587 2.000000
|
196
|
+
309 149 2.000000
|
197
|
+
89 507 2.000000
|
198
|
+
255 78 2.000000
|
199
|
+
164 1306 2.000000
|
200
|
+
190 1327 2.000000
|
201
|
+
158 1341 2.000000
|
202
|
+
218 1473 2.000000
|
203
|
+
222 1497 2.000000
|
204
|
+
244 1488 2.000000
|
205
|
+
465 1411 2.000000
|
206
|
+
485 1394 2.000000
|
207
|
+
493 1419 2.000000
|
208
|
+
223 1610 2.000000
|
209
|
+
208 1633 2.000000
|
210
|
+
234 1639 2.000000
|
211
|
+
142 1753 2.000000
|
212
|
+
323 1762 2.000000
|
213
|
+
336 1793 2.000000
|
214
|
+
395 1659 2.000000
|
215
|
+
569 1681 2.000000
|
216
|
+
603 1678 2.000000
|
217
|
+
587 1710 2.000000
|
218
|
+
906 1477 2.000000
|
219
|
+
930 1511 2.000000
|
220
|
+
995 1549 2.000000
|
221
|
+
888 1351 2.000000
|
222
|
+
958 1317 2.000000
|
223
|
+
1202 1287 2.000000
|
224
|
+
1228 1279 2.000000
|
225
|
+
1251 1297 2.000000
|
226
|
+
1229 1323 2.000000
|
227
|
+
1483 1430 2.000000
|
228
|
+
1448 1357 2.000000
|
229
|
+
1456 1451 2.000000
|
230
|
+
1457 1474 2.000000
|
231
|
+
1475 1476 2.000000
|
232
|
+
1256 1651 2.000000
|
233
|
+
1291 1656 2.000000
|
234
|
+
1268 1683 2.000000
|
235
|
+
1295 1683 2.000000
|
236
|
+
1251 1722 2.000000
|
237
|
+
1252 1751 2.000000
|
238
|
+
1319 1696 2.000000
|
239
|
+
1342 1715 2.000000
|
240
|
+
1054 1679 2.000000
|
241
|
+
1080 1671 2.000000
|
242
|
+
1084 1649 2.000000
|
243
|
+
1103 1632 2.000000
|
244
|
+
682 1833 2.000000
|
245
|
+
739 1840 2.000000
|
246
|
+
766 1878 2.000000
|
247
|
+
802 1883 2.000000
|
248
|
+
824 1835 2.000000
|
249
|
+
889 1816 2.000000
|
250
|
+
900 1785 2.000000
|
251
|
+
377 1971 2.000000
|
252
|
+
361 1946 2.000000
|
253
|
+
43 2293 2.000000
|
254
|
+
63 2270 2.000000
|
255
|
+
86 2175 2.000000
|
256
|
+
33 1996 2.000000
|
257
|
+
239 2028 2.000000
|
258
|
+
399 2046 2.000000
|
259
|
+
427 2077 2.000000
|
260
|
+
314 2308 2.000000
|
261
|
+
334 2320 2.000000
|
262
|
+
277 2408 2.000000
|
263
|
+
384 2419 2.000000
|
264
|
+
512 2402 2.000000
|
265
|
+
602 2176 2.000000
|
266
|
+
588 2145 2.000000
|
267
|
+
833 2365 2.000000
|
268
|
+
1193 2275 2.000000
|
269
|
+
1260 2290 2.000000
|
270
|
+
1286 2299 2.000000
|
271
|
+
1557 2185 2.000000
|
272
|
+
1585 2216 2.000000
|
273
|
+
1343 1890 2.000000
|
274
|
+
1312 1868 2.000000
|
275
|
+
1201 1843 2.000000
|
276
|
+
1085 1763 2.000000
|
277
|
+
476 1650 2.000000
|
278
|
+
1339 1532 2.000000
|
279
|
+
2314 1268 2.000000
|
280
|
+
1791 1654 2.000000
|
281
|
+
1762 1686 2.000000
|
282
|
+
1746 1720 2.000000
|
283
|
+
1811 1684 2.000000
|
284
|
+
1837 1626 2.000000
|
285
|
+
1864 1645 2.000000
|
286
|
+
1876 1622 2.000000
|
287
|
+
2003 1635 2.000000
|
288
|
+
1997 1685 2.000000
|
289
|
+
1960 1747 2.000000
|
290
|
+
2035 1665 2.000000
|
291
|
+
2049 1632 2.000000
|
292
|
+
2063 1577 2.000000
|
293
|
+
2123 1557 2.000000
|
294
|
+
2208 1615 2.000000
|
295
|
+
2215 1674 2.000000
|
296
|
+
2191 1723 2.000000
|
297
|
+
2165 1726 2.000000
|
298
|
+
1973 1839 2.000000
|
299
|
+
1883 1965 2.000000
|
300
|
+
1867 1985 2.000000
|
301
|
+
1709 1829 2.000000
|
302
|
+
1626 1863 2.000000
|
303
|
+
1646 1879 2.000000
|
304
|
+
1678 1883 2.000000
|
305
|
+
1678 1668 2.000000
|
306
|
+
2226 1937 2.000000
|
307
|
+
2205 1968 2.000000
|
308
|
+
2225 1989 2.000000
|
309
|
+
2239 1969 2.000000
|
310
|
+
2258 1992 2.000000
|
311
|
+
2329 1773 2.000000
|
312
|
+
2343 1751 2.000000
|
313
|
+
2287 2160 2.000000
|
314
|
+
2265 2202 2.000000
|
315
|
+
2254 2235 2.000000
|
316
|
+
2234 2221 2.000000
|
317
|
+
2477 2201 2.000000
|
318
|
+
2464 2264 2.000000
|
319
|
+
2522 2257 2.000000
|
320
|
+
2568 2262 2.000000
|
321
|
+
2569 2293 2.000000
|
322
|
+
2599 2292 2.000000
|
323
|
+
2635 2302 2.000000
|
324
|
+
2635 2332 2.000000
|
325
|
+
2822 2207 2.000000
|
326
|
+
2845 2194 2.000000
|
327
|
+
2855 2227 2.000000
|
328
|
+
2858 2260 2.000000
|
329
|
+
2851 2064 2.000000
|
330
|
+
2831 2014 2.000000
|
331
|
+
2845 1990 2.000000
|
332
|
+
2793 1982 2.000000
|
333
|
+
2555 1809 2.000000
|
334
|
+
2557 1869 2.000000
|
335
|
+
2550 1887 2.000000
|
336
|
+
2555 1758 2.000000
|
337
|
+
2547 1612 2.000000
|
338
|
+
2567 1593 2.000000
|
339
|
+
2509 1653 2.000000
|
340
|
+
2437 1640 2.000000
|
341
|
+
2408 1642 2.000000
|
342
|
+
2860 1644 2.000000
|
343
|
+
2859 1616 2.000000
|
344
|
+
2881 1474 2.000000
|
345
|
+
2723 1326 2.000000
|
346
|
+
2737 1292 2.000000
|
347
|
+
1865 2127 2.000000
|
348
|
+
1940 2140 2.000000
|
349
|
+
1982 2148 2.000000
|
350
|
+
1923 2286 2.000000
|
351
|
+
1973 2315 2.000000
|
352
|
+
1744 2424 2.000000
|
353
|
+
1641 2298 2.000000
|
354
|
+
2700 2347 2.000000
|
355
|
+
2735 2295 2.000000
|
356
|
+
2741 2405 2.000000
|
357
|
+
2742 2437 2.000000
|
358
|
+
2479 2091 2.000000
|
359
|
+
2458 2107 2.000000
|
360
|
+
3164 2271 2.000000
|
361
|
+
3138 2278 2.000000
|
362
|
+
3085 2290 2.000000
|
363
|
+
3057 2315 2.000000
|
364
|
+
3030 2298 2.000000
|
365
|
+
2973 2318 2.000000
|
366
|
+
2945 2378 2.000000
|
367
|
+
3037 2409 2.000000
|
368
|
+
2928 1896 2.000000
|
369
|
+
2908 1888 2.000000
|
370
|
+
2986 1901 2.000000
|
371
|
+
3006 1875 2.000000
|
372
|
+
3036 1890 2.000000
|
373
|
+
2924 1770 2.000000
|
374
|
+
2921 1736 2.000000
|
375
|
+
2865 1732 2.000000
|
376
|
+
3010 1654 2.000000
|
377
|
+
3009 1630 2.000000
|
378
|
+
3000 1769 2.000000
|
379
|
+
3020 1530 2.000000
|
380
|
+
3079 1510 2.000000
|
381
|
+
3119 1528 2.000000
|
382
|
+
2247 1782 2.000000
|
383
|
+
2486 1305 2.000000
|
384
|
+
2608 1274 2.000000
|
385
|
+
3063 1436 2.000000
|
386
|
+
2964 1424 2.000000
|
387
|
+
1961 883 2.000000
|
388
|
+
1966 862 2.000000
|
389
|
+
2410 785 2.000000
|
390
|
+
3082 1221 2.000000
|
391
|
+
3170 1103 2.000000
|
392
|
+
2037 1232 2.000000
|
393
|
+
2349 1462 2.000000
|
394
|
+
581 213 2.000000
|
395
|
+
593 764 2.000000
|
396
|
+
1393 237 2.000000
|
@@ -0,0 +1,36 @@
|
|
1
|
+
|
2
|
+
data_images
|
3
|
+
|
4
|
+
loop_
|
5
|
+
_rlnImageName #1
|
6
|
+
_rlnCoordinateX #2
|
7
|
+
_rlnCoordinateY #3
|
8
|
+
_rlnMicrographName #4
|
9
|
+
000001@Particles/Micrographs/1_36kx_6_particles.mrcs 283.000000 285.000000 Micrographs/1_36kx_6.mrc
|
10
|
+
000002@Particles/Micrographs/1_36kx_6_particles.mrcs 187.000000 232.000000 Micrographs/1_36kx_6.mrc
|
11
|
+
000003@Particles/Micrographs/1_36kx_6_particles.mrcs 661.000000 377.000000 Micrographs/1_36kx_6.mrc
|
12
|
+
000004@Particles/Micrographs/1_36kx_6_particles.mrcs 702.000000 386.000000 Micrographs/1_36kx_6.mrc
|
13
|
+
000005@Particles/Micrographs/1_36kx_6_particles.mrcs 684.000000 407.000000 Micrographs/1_36kx_6.mrc
|
14
|
+
000006@Particles/Micrographs/1_36kx_6_particles.mrcs 684.000000 591.000000 Micrographs/1_36kx_6.mrc
|
15
|
+
000007@Particles/Micrographs/1_36kx_6_particles.mrcs 810.000000 297.000000 Micrographs/1_36kx_6.mrc
|
16
|
+
000008@Particles/Micrographs/1_36kx_6_particles.mrcs 786.000000 244.000000 Micrographs/1_36kx_6.mrc
|
17
|
+
000009@Particles/Micrographs/1_36kx_6_particles.mrcs 826.000000 247.000000 Micrographs/1_36kx_6.mrc
|
18
|
+
000010@Particles/Micrographs/1_36kx_6_particles.mrcs 847.000000 240.000000 Micrographs/1_36kx_6.mrc
|
19
|
+
000011@Particles/Micrographs/1_36kx_6_particles.mrcs 927.000000 376.000000 Micrographs/1_36kx_6.mrc
|
20
|
+
000012@Particles/Micrographs/1_36kx_6_particles.mrcs 930.000000 380.000000 Micrographs/1_36kx_6.mrc
|
21
|
+
000013@Particles/Micrographs/1_36kx_6_particles.mrcs 967.000000 412.000000 Micrographs/1_36kx_6.mrc
|
22
|
+
000014@Particles/Micrographs/1_36kx_6_particles.mrcs 948.000000 417.000000 Micrographs/1_36kx_6.mrc
|
23
|
+
000015@Particles/Micrographs/1_36kx_6_particles.mrcs 802.000000 552.000000 Micrographs/1_36kx_6.mrc
|
24
|
+
000016@Particles/Micrographs/1_36kx_6_particles.mrcs 778.000000 547.000000 Micrographs/1_36kx_6.mrc
|
25
|
+
000017@Particles/Micrographs/1_36kx_6_particles.mrcs 652.000000 549.000000 Micrographs/1_36kx_6.mrc
|
26
|
+
000018@Particles/Micrographs/1_36kx_6_particles.mrcs 464.000000 533.000000 Micrographs/1_36kx_6.mrc
|
27
|
+
000019@Particles/Micrographs/1_36kx_6_particles.mrcs 278.000000 653.000000 Micrographs/1_36kx_6.mrc
|
28
|
+
000020@Particles/Micrographs/1_36kx_6_particles.mrcs 1052.000000 653.000000 Micrographs/1_36kx_6.mrc
|
29
|
+
000021@Particles/Micrographs/1_36kx_6_particles.mrcs 1143.000000 671.000000 Micrographs/1_36kx_6.mrc
|
30
|
+
000022@Particles/Micrographs/1_36kx_6_particles.mrcs 1095.000000 119.000000 Micrographs/1_36kx_6.mrc
|
31
|
+
000023@Particles/Micrographs/1_36kx_6_particles.mrcs 1131.000000 102.000000 Micrographs/1_36kx_6.mrc
|
32
|
+
000024@Particles/Micrographs/1_36kx_6_particles.mrcs 1148.000000 122.000000 Micrographs/1_36kx_6.mrc
|
33
|
+
000025@Particles/Micrographs/1_36kx_6_particles.mrcs 434.000000 103.000000 Micrographs/1_36kx_6.mrc
|
34
|
+
000026@Particles/Micrographs/1_36kx_6_particles.mrcs 324.000000 72.000000 Micrographs/1_36kx_6.mrc
|
35
|
+
000027@Particles/Micrographs/1_36kx_6_particles.mrcs 82.000000 83.000000 Micrographs/1_36kx_6.mrc
|
36
|
+
000028@Particles/Micrographs/1_36kx_6_particles.mrcs 196.000000 495.000000 Micrographs/1_36kx_6.mrc
|
@@ -0,0 +1,9 @@
|
|
1
|
+
>NM_000558.5:38-466 Homo sapiens hemoglobin subunit alpha (HBA1), mRNA CDS for the 142 aa protein https://www.ncbi.nlm.nih.gov/protein/NP_000549.1
|
2
|
+
|
3
|
+
ATGGTGCTGTCTCCTGCCGACAAGACCAACGTCAAGGCCGCCTGGGGTAAGGTCGGCGCGCACGCTGGCG
|
4
|
+
AGTATGGTGCGGAGGCCCTGGAGAGGATGTTCCTGTCCTTCCCCACCACCAAGACCTACTTCCCGCACTT
|
5
|
+
CGACCTGAGCCACGGCTCTGCCCAGGTTAAGGGCCACGGCAAGAAGGTGGCCGACGCGCTGACCAACGCC
|
6
|
+
GTGGCGCACGTGGACGACATGCCCAACGCGCTGTCCGCCCTGAGCGACCTGCACGCGCACAAGCTTCGGG
|
7
|
+
TGGACCCGGTCAACTTCAAGCTCCTAAGCCACTGCCTGCTGGTGACCCTGGCCGCCCACCTCCCCGCCGA
|
8
|
+
GTTCACCCCTGCGGTGCACGCCTCCCTGGACAAGTTCCTGGCTTCTGTGAGCACCGTGCTGACCTCCAAA
|
9
|
+
TACCGTTAA
|
@@ -0,0 +1,8 @@
|
|
1
|
+
>NM_000518.5 Homo sapiens hemoglobin subunit beta (HBB), mRNA CDS for the 147 aa protein https://www.ncbi.nlm.nih.gov/protein/NP_000509.1
|
2
|
+
|
3
|
+
ATGGTGCATCTGACTCCTGAGGAGAAGTCTGCCGTTACTGCCCTGTGGGGCAAGGTGAACGTGGATGAAGTTGGT
|
4
|
+
GGTGAGGCCCTGGGCAGGCTGCTGGTGGTCTACCCTTGGACCCAGAGGTTCTTTGAGTCCTTTGGGGATCTGTCC
|
5
|
+
ACTCCTGATGCTGTTATGGGCAACCCTAAGGTGAAGGCTCATGGCAAGAAAGTGCTCGGTGCCTTTAGTGATGGC
|
6
|
+
CTGGCTCACCTGGACAACCTCAAGGGCACCTTTGCCACACTGAGTGAGCTGCACTGTGACAAGCTGCACGTGGAT
|
7
|
+
CCTGAGAACTTCAGGCTCCTGGGCAACGTGCTGGTCTGTGTGCTGGCCCATCACTTTGGCAAAGAATTCACCCCA
|
8
|
+
CCAGTGCAGGCTGCCTATCAGAAAGTGGTGGCTGGTGTGGCTAATGCCCTGGCCCACAAGTATCACTAA
|
@@ -19,11 +19,6 @@ module ElectronMicroscopy
|
|
19
19
|
|
20
20
|
class CoordinateAnalyzer < ::Bioroebe::CommandlineApplication # === Bioroebe::ElectronMicroscopy::CoordinateAnalyzer
|
21
21
|
|
22
|
-
# =========================================================================== #
|
23
|
-
# === NAMESPACE
|
24
|
-
# =========================================================================== #
|
25
|
-
NAMESPACE = inspect
|
26
|
-
|
27
22
|
# =========================================================================== #
|
28
23
|
# === STORE_HERE
|
29
24
|
# =========================================================================== #
|
@@ -44,10 +39,7 @@ class CoordinateAnalyzer < ::Bioroebe::CommandlineApplication # === Bioroebe::El
|
|
44
39
|
# =========================================================================== #
|
45
40
|
def reset
|
46
41
|
super()
|
47
|
-
|
48
|
-
# === @namespace
|
49
|
-
# ========================================================================= #
|
50
|
-
@namespace = NAMESPACE
|
42
|
+
infer_the_namespace
|
51
43
|
# ========================================================================= #
|
52
44
|
# === @dataset
|
53
45
|
# ========================================================================= #
|
@@ -71,7 +63,7 @@ class CoordinateAnalyzer < ::Bioroebe::CommandlineApplication # === Bioroebe::El
|
|
71
63
|
# Which internal base directory to use.
|
72
64
|
# =========================================================================== #
|
73
65
|
def base?
|
74
|
-
"#{
|
66
|
+
"#{log_dir?}image*"
|
75
67
|
end
|
76
68
|
|
77
69
|
# =========================================================================== #
|
@@ -94,10 +86,10 @@ class CoordinateAnalyzer < ::Bioroebe::CommandlineApplication # === Bioroebe::El
|
|
94
86
|
# =========================================================================== #
|
95
87
|
def analyze_dataset
|
96
88
|
if @dataset.empty?
|
97
|
-
|
98
|
-
|
89
|
+
erev 'Can not analyze anything as the dataset (from '+
|
90
|
+
simp(base?)+rev+') is empty.'
|
99
91
|
else
|
100
|
-
|
92
|
+
erev 'Analyzing the dataset.'
|
101
93
|
@dataset.sort.each_with_index {|entry, index|
|
102
94
|
index += 1
|
103
95
|
index = '%02d' % index
|
@@ -105,7 +97,7 @@ class CoordinateAnalyzer < ::Bioroebe::CommandlineApplication # === Bioroebe::El
|
|
105
97
|
data = data.select {|inner_entry| inner_entry.include? ' ' }
|
106
98
|
n_lines = data.size
|
107
99
|
entry = '%-41s' % entry
|
108
|
-
|
100
|
+
erev ' '+sfile(entry)+rev+' has '+simp(n_lines.to_s)+rev+' particles.'
|
109
101
|
# Next, we store this directly into the file.
|
110
102
|
append_what_into('Image '+index+': '+n_lines.to_s+N, store_where?)
|
111
103
|
@n_total_particles += n_lines
|
@@ -132,16 +124,21 @@ class CoordinateAnalyzer < ::Bioroebe::CommandlineApplication # === Bioroebe::El
|
|
132
124
|
# It will generate the file total_amount_of_particles.
|
133
125
|
# =========================================================================== #
|
134
126
|
def generate_a_report
|
135
|
-
|
136
|
-
append_what_into(
|
137
|
-
|
127
|
+
erev "Now generating a report into `#{sfile(store_where?)}#{rev}`."
|
128
|
+
append_what_into(
|
129
|
+
N+N+'Total: '+@n_total_particles.to_s+N,
|
130
|
+
store_where?
|
131
|
+
)
|
138
132
|
end
|
139
133
|
|
140
134
|
# =========================================================================== #
|
141
135
|
# === startup_message
|
142
136
|
# =========================================================================== #
|
143
137
|
def startup_message
|
144
|
-
opnn
|
138
|
+
opnn { :no_trailing }
|
139
|
+
e
|
140
|
+
e
|
141
|
+
erev 'Attempting to analyze the coordinates next.'
|
145
142
|
end
|
146
143
|
|
147
144
|
# =========================================================================== #
|
@@ -2,19 +2,27 @@
|
|
2
2
|
# Encoding: UTF-8
|
3
3
|
# frozen_string_literal: true
|
4
4
|
# =========================================================================== #
|
5
|
-
# require 'bioroebe/
|
5
|
+
# require 'bioroebe/electron_microscopy/electron_microscopy_module.rb'
|
6
|
+
# include Bioroebe::ElectronMicroscopy
|
6
7
|
# =========================================================================== #
|
7
8
|
module Bioroebe
|
8
9
|
|
9
|
-
|
10
|
+
module ElectronMicroscopy
|
10
11
|
|
11
12
|
# ========================================================================= #
|
12
|
-
# ===
|
13
|
+
# === DEFAULT_XMIPP_HEADER
|
14
|
+
#
|
15
|
+
# The header for xmipp.
|
13
16
|
# ========================================================================= #
|
14
|
-
|
15
|
-
|
16
|
-
|
17
|
-
|
18
|
-
|
17
|
+
DEFAULT_XMIPP_HEADER = '# XMIPP_STAR_1 *
|
18
|
+
#
|
19
|
+
data_noname
|
20
|
+
loop_
|
21
|
+
_image
|
22
|
+
_micrograph
|
23
|
+
_xcoor
|
24
|
+
_ycoor
|
25
|
+
|
26
|
+
'
|
19
27
|
|
20
28
|
end; end
|
@@ -18,11 +18,6 @@ class FixPosFile < ::Bioroebe::CommandlineApplication # === Bioroebe::ElectronMi
|
|
18
18
|
|
19
19
|
require 'bioroebe/electron_microscopy/parse_coordinates.rb'
|
20
20
|
|
21
|
-
# ========================================================================= #
|
22
|
-
# === NAMESPACE
|
23
|
-
# ========================================================================= #
|
24
|
-
NAMESPACE = inspect
|
25
|
-
|
26
21
|
# ========================================================================= #
|
27
22
|
# === initialize
|
28
23
|
# ========================================================================= #
|
@@ -43,10 +38,7 @@ class FixPosFile < ::Bioroebe::CommandlineApplication # === Bioroebe::ElectronMi
|
|
43
38
|
def reset
|
44
39
|
super()
|
45
40
|
set_fix_this_pos_file
|
46
|
-
|
47
|
-
# === @namespace
|
48
|
-
# ======================================================================= #
|
49
|
-
@namespace = NAMESPACE
|
41
|
+
infer_the_namespace
|
50
42
|
end
|
51
43
|
|
52
44
|
# ========================================================================= #
|