annotate tools/ncbi_blast_plus/ncbi_makeblastdb.xml @ 34:b6893f57f8d8 draft

planemo upload for repository https://github.com/peterjc/galaxy_blast/tree/master/tools/ncbi_blast_plus commit 028e3e806ba6df913403a2a083a354dfa713755f
author peterjc
date Thu, 22 Feb 2024 14:47:01 +0000
parents a52d2d93e595
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6f8ea4b9a2c4 "planemo upload for repository https://github.com/peterjc/galaxy_blast/tree/master/tools/ncbi_blast_plus commit 3f9f39ad808325a11d9967980d2cb82c96d69324"
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1 <tool id="ncbi_makeblastdb" name="NCBI BLAST+ makeblastdb" version="@TOOL_VERSION@+galaxy@VERSION_SUFFIX@" profile="@PROFILE@">
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2 <description>Make BLAST database</description>
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3 <macros>
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4 <token name="@BINARY@">makeblastdb</token>
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5 <import>ncbi_macros.xml</import>
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6 </macros>
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7 <expand macro="preamble">
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8 <requirement type="package" version="3.9">python</requirement>
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9 </expand>
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10 <command detect_errors="aggressive" strict="true"><![CDATA[
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11 #set $inputs = []
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12 #set $input_compression = []
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13 #for r in $input.selection:
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14 #if $input.type == "protein":
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15 #silent $inputs.append($r.input_file)
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16 #silent $input_compression.append($r.input_file.is_of_type('fasta.gz'))
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17 #elif $r.nuc_choice.source == "history":
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18 #silent $inputs.append($r.nuc_choice.input_file)
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19 #silent $input_compression.append($r.nuc_choice.input_file.is_of_type('fasta.gz'))
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20 #else:
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21 #silent $inputs.append($r.nuc_choice.input_file.fields.path)
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22 #silent $input_compression.append(False)
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23 #end if
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24 #end for
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25
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26 python $__tool_directory__/check_no_duplicates.py
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27 ##First check for duplicates (since BLAST+ 2.2.28 fails to do so)
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28 ##and abort (via the ampersand ampersand trick) if any are found.
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29 #for i in $inputs#'$i' #end for#
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30 &&
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31 ##makeblastdb does not like input redirects of the sort
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32 ##makeblastdb -in <(gunzip -c gzipped_fasta_file)
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33 ##therefore we're cramming everything
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34 ##into a single cat command below
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35 cat
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36 #for i, is_gzipped in zip($inputs, $input_compression):
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37 #if $is_gzipped:
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38 <(gunzip -c '$i')
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39 #else:
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40 '$i'
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41 #end if
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42 #end for
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43 | makeblastdb -out '${os.path.join($outfile.files_path, "blastdb")}'
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44 -blastdb_version 4
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45 $parse_seqids
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46 $hash_index
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47 -in -
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48 #if $title:
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49 -title '${title}'
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50 #else:
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51 ##Would default to being based on the cryptic Galaxy filenames, which is unhelpful
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52 -title 'BLAST Database'
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53 #end if
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54 -dbtype
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55 #if $input.type == "protein":
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56 prot
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57 #else:
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58 nucl
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59 #end if
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60 ## --------------------------------------------------------------------
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61 ## Masking
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62 ## --------------------------------------------------------------------
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63 ## HACK: If no mask files, evaluates as a list with just None in it:
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64 ## See Trello issue https://trello.com/c/lp5YmA1O
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65 #if ' '.join( map(str, $mask_data_file) ) != 'None':
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66 #for i in $mask_data_file:
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67 -mask_data '${i}'
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68 #end for
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69 #end if
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70 ## --------------------------------------------------------------------
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71 ## Taxonomy
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72 ## --------------------------------------------------------------------
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73 #if $tax.taxselect == 'id':
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74 -taxid $tax.taxid
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75 ## #else if $tax.taxselect == 'map':
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76 ## -taxid_map $tax.taxmap
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77 #end if
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78 ## --------------------------------------------------------------------
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79 ## Capture the stdout log information to the primary file (plain text):
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80 > '$outfile'
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81 ]]></command>
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82 <inputs>
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83 <conditional name="input">
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84 <param argument="-dbtype" name="type" type="select" label="Molecule type of input">
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85 <option value="protein">protein</option>
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86 <option value="nucleotide">nucleotide</option>
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87 </param>
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88 <!-- TODO Allow merging of existing BLAST databases (conditional on the database type)?
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89 NOTE Double check the new database would be self contained first
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90 -->
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91 <when value="protein">
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92 <repeat name="selection" title="Select input" min="1" default="1">
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93 <!-- Note this is a mandatory parameter - default should be most recent FASTA file -->
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94 <param name="input_file" argument="-in" type="data" format="fasta,fasta.gz" label="FASTA input" help="FASTA file with one or more sequences to add to the database" />
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95 </repeat>
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96 </when>
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97 <when value="nucleotide">
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98 <repeat name="selection" title="Select input" min="1" default="1">
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99 <conditional name="nuc_choice">
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100 <param name="source" type="select" label="Input is a">
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101 <option value="history">Dataset in history</option>
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102 <option value="cached">Genome on server</option>
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103 </param>
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104 <when value="history">
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105 <param name="input_file" argument="-in" type="data" format="fasta,fasta.gz" label="FASTA input" help="FASTA file with one or more sequences to add to the database" />
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106 </when>
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107 <when value="cached">
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108 <param name="input_file" type="select" label="Installed genome">
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109 <options from_data_table="all_fasta"/>
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110 </param>
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111 </when>
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112 </conditional>
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113 </repeat>
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114 </when>
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115 </conditional>
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116 <param argument="-title" type="text" value="" label="Title for BLAST database" help="This is the database name shown in BLAST search output" />
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117 <param argument="-parse_seqids" type="boolean" truevalue="-parse_seqids" falsevalue="" checked="false" label="Parse the sequence identifiers" help="This is only advised if your FASTA file follows the NCBI naming conventions using pipe '|' symbols" />
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118 <param argument="-hash_index" type="boolean" truevalue="-hash_index" falsevalue="" checked="true" label="Enable the creation of sequence hash values" help="These hash values can then be used to quickly determine if a given sequence data exists in this BLAST database." />
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119 <!-- SEQUENCE MASKING OPTIONS -->
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120 <!-- Note this is an optional parameter - default should be NO files -->
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121 <param name="mask_data_file" argument="-mask_data" type="data" multiple="true" optional="true" value="" format="maskinfo-asn1,maskinfo-asn1-binary" label="Optional ASN.1 file(s) containing masking data" help="As produced by NCBI masking applications (e.g. dustmasker, segmasker, windowmasker)" />
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122 <!-- TODO - Option to create GI indexed masking data? via -gi_mask and -gi_mask_name? -->
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123 <!-- TAXONOMY OPTIONS -->
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124 <conditional name="tax">
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125 <param name="taxselect" type="select" label="Taxonomy options">
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126 <option value="">Do not assign a Taxonomy ID to the sequences</option>
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127 <option value="id">Assign the same Taxonomy ID to all the sequences</option>
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128 <!--
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129 <option value="map">Supply text file mapping sequence IDs to taxnomy IDs</option>
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130 TODO - Can we use a tabular file for the taxonomy mapping?
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131 -->
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132 </param>
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133 <when value="">
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134 </when>
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135 <when value="id">
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136 <param argument="-taxid" type="integer" min="0" value="" label="NCBI taxonomy ID" help="Integer &gt;=0, e.g. 9606 for Homo sapiens" />
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137 </when>
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138 <!-- TODO: File format?
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139 <when value="map">
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140 <param name="taxmap" argument="-taxid_map" type="data" format="txt" label="Seq ID : Tax ID mapping file" help="Format: SequenceId TaxonomyId" />
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141 </when>
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142
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143 -->
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144 </conditional>
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145 </inputs>
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146 <outputs>
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147 <!-- If we only accepted one FASTA file, we could use its human name here... -->
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148 <data name="outfile" format="data" label="${input.type} BLAST database from ${on_string}">
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149 <change_format>
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150 <when input="input.type" value="nucleotide" format="blastdbn" />
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151 <when input="input.type" value="protein" format="blastdbp" />
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152 </change_format>
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153 </data>
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154 </outputs>
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155 <tests>
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156 <!-- Note the (two line) PIN file is not reproducible run to run.
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157 The same applies to the NIN file for nucleotide database.
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158 Likewise there is a datestamp in the log file as well, so use contains comparison
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159 With and without the masking makes no difference.
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160 With and without the taxid the only real difference is in the *.phr file.
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161 -->
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162 <test>
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163 <conditional name="input">
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164 <param name="type" value="protein"/>
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165 <repeat name="selection">
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166 <param name="input_file" value="four_human_proteins.fasta" ftype="fasta" />
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167 </repeat>
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168 </conditional>
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169 <param name="title" value="Just 4 human proteins" />
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170 <param name="parse_seqids" value="" />
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171 <param name="hash_index" value="true" />
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172 <output name="outfile" compare="contains" file="four_human_proteins.fasta.log.txt" ftype="blastdbp">
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173 <extra_files type="file" value="four_human_proteins.fasta.phr" name="blastdb.phr" />
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174 <extra_files type="file" value="four_human_proteins.fasta.pin" name="blastdb.pin" compare="sim_size" delta="0" />
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175 <extra_files type="file" value="four_human_proteins.fasta.psq" name="blastdb.psq" />
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176 <extra_files type="file" value="four_human_proteins.fasta.pog" name="blastdb.pog" />
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177 <extra_files type="file" value="four_human_proteins.fasta.phd" name="blastdb.phd" />
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178 <extra_files type="file" value="four_human_proteins.fasta.phi" name="blastdb.phi" />
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179 <extra_files type="file" value="four_human_proteins.fasta.psd" name="blastdb.psd" />
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180 <extra_files type="file" value="four_human_proteins.fasta.psi" name="blastdb.psi" />
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181 </output>
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182 </test>
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183 <test>
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184 <conditional name="input">
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185 <param name="type" value="protein"/>
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186 <repeat name="selection">
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187 <param name="input_file" value="four_human_proteins.fasta" ftype="fasta" />
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188 </repeat>
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189 </conditional>
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190 <param name="title" value="Just 4 human proteins" />
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191 <param name="parse_seqids" value="" />
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192 <param name="hash_index" value="true" />
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193 <param name="taxselect" value="id" />
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194 <param name="taxid" value="9606" />
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195 <output name="outfile" compare="contains" file="four_human_proteins_taxid.fasta.log.txt" ftype="blastdbp">
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196 <extra_files type="file" value="four_human_proteins_taxid.fasta.phr" name="blastdb.phr" />
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197 <extra_files type="file" value="four_human_proteins_taxid.fasta.pin" name="blastdb.pin" compare="sim_size" delta="0" />
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198 <extra_files type="file" value="four_human_proteins_taxid.fasta.psq" name="blastdb.psq" />
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199 <extra_files type="file" value="four_human_proteins_taxid.fasta.pog" name="blastdb.pog" />
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200 <extra_files type="file" value="four_human_proteins_taxid.fasta.phd" name="blastdb.phd" />
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201 <extra_files type="file" value="four_human_proteins_taxid.fasta.phi" name="blastdb.phi" />
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202 <extra_files type="file" value="four_human_proteins_taxid.fasta.psd" name="blastdb.psd" />
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203 <extra_files type="file" value="four_human_proteins_taxid.fasta.psi" name="blastdb.psi" />
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204 </output>
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205 </test>
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206 <test>
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207 <conditional name="input">
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208 <param name="type" value="protein"/>
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209 <repeat name="selection">
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210 <param name="input_file" value="four_human_proteins.fasta" ftype="fasta" />
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211 </repeat>
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212 </conditional>
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213 <param name="title" value="Just 4 human proteins" />
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214 <param name="parse_seqids" value="" />
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215 <param name="hash_index" value="true" />
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216 <param name="mask_data_file" value="segmasker_four_human.maskinfo-asn1" ftype="maskinfo-asn1" />
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217 <output name="outfile" compare="contains" file="four_human_proteins.fasta.log.txt" ftype="blastdbp">
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218 <extra_files type="file" value="four_human_proteins.fasta.phr" name="blastdb.phr" />
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219 <extra_files type="file" value="four_human_proteins.fasta.pin" name="blastdb.pin" compare="sim_size" delta="0" />
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220 <extra_files type="file" value="four_human_proteins.fasta.psq" name="blastdb.psq" />
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221 <extra_files type="file" value="four_human_proteins.fasta.pog" name="blastdb.pog" />
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222 <extra_files type="file" value="four_human_proteins.fasta.phd" name="blastdb.phd" />
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223 <extra_files type="file" value="four_human_proteins.fasta.phi" name="blastdb.phi" />
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224 <extra_files type="file" value="four_human_proteins.fasta.psd" name="blastdb.psd" />
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225 <extra_files type="file" value="four_human_proteins.fasta.psi" name="blastdb.psi" />
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226 </output>
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227 </test>
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228 <test>
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229 <conditional name="input">
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230 <param name="type" value="nucleotide"/>
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231 <repeat name="selection">
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232 <conditional name="nuc_choice">
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233 <param name="source" value="history"/>
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234 <param name="input_file" value="three_human_mRNA.fasta.gz" ftype="fasta.gz" />
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235 </conditional>
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236 </repeat>
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237 </conditional>
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238 <param name="title" value="Just 3 human mRNA sequences" />
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239 <param name="parse_seqids" value="" />
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240 <param name="hash_index" value="true" />
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241 <param name="taxselect" value="id" />
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242 <param name="taxid" value="9606" />
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243 <output name="outfile" compare="contains" file="three_human_mRNA.fasta.log.txt" ftype="blastdbn">
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244 <extra_files type="file" value="three_human_mRNA.fasta.nhr" name="blastdb.nhr" />
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245 <extra_files type="file" value="three_human_mRNA.fasta.nin" name="blastdb.nin" compare="sim_size" delta="8" />
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246 <extra_files type="file" value="three_human_mRNA.fasta.nsq" name="blastdb.nsq" />
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247 <extra_files type="file" value="three_human_mRNA.fasta.nog" name="blastdb.nog" />
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248 <extra_files type="file" value="three_human_mRNA.fasta.nhd" name="blastdb.nhd" />
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249 <extra_files type="file" value="three_human_mRNA.fasta.nhi" name="blastdb.nhi" />
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250 <extra_files type="file" value="three_human_mRNA.fasta.nsd" name="blastdb.nsd" />
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251 <extra_files type="file" value="three_human_mRNA.fasta.nsi" name="blastdb.nsi" />
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252 </output>
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253 </test>
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254 <test>
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255 <conditional name="input">
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256 <param name="type" value="nucleotide"/>
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257 <repeat name="selection">
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258 <conditional name="nuc_choice">
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259 <param name="source" value="cached"/>
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260 <param name="input_file" value="three_human_mRNA" />
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261 </conditional>
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262 </repeat>
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263 </conditional>
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264 <param name="title" value="Just 3 human mRNA sequences" />
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265 <param name="parse_seqids" value="" />
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266 <param name="hash_index" value="true" />
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267 <param name="taxselect" value="id" />
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268 <param name="taxid" value="9606" />
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269 <output name="outfile" compare="contains" file="three_human_mRNA.fasta.log.txt" ftype="blastdbn">
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270 <extra_files type="file" value="three_human_mRNA.fasta.nhr" name="blastdb.nhr" />
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271 <extra_files type="file" value="three_human_mRNA.fasta.nin" name="blastdb.nin" compare="sim_size" delta="8" />
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272 <extra_files type="file" value="three_human_mRNA.fasta.nsq" name="blastdb.nsq" />
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273 <extra_files type="file" value="three_human_mRNA.fasta.nog" name="blastdb.nog" />
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274 <extra_files type="file" value="three_human_mRNA.fasta.nhd" name="blastdb.nhd" />
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275 <extra_files type="file" value="three_human_mRNA.fasta.nhi" name="blastdb.nhi" />
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276 <extra_files type="file" value="three_human_mRNA.fasta.nsd" name="blastdb.nsd" />
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277 <extra_files type="file" value="three_human_mRNA.fasta.nsi" name="blastdb.nsi" />
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278 </output>
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279 </test>
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280 </tests>
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281 <help>
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282 **What it does**
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283
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284 Make BLAST database from one or more FASTA files and/or BLAST databases.
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285
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286 This is a wrapper for the NCBI BLAST+ tool 'makeblastdb', which is the
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287 replacement for the 'formatdb' tool in the NCBI 'legacy' BLAST suite.
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288
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289 More information about makeblastdb can be found in the `BLAST Command Line Applications User Manual`_.
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290
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291 .. _BLAST Command Line Applications User Manual: https://www.ncbi.nlm.nih.gov/books/NBK279690/
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292
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293
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294 <!--
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295 Applying masks to an existing BLAST database will not change the original database; a new database will be created.
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296 For this reason, it's best to apply all masks at once to minimize the number of unnecessary intermediate databases.
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297 -->
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298
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299 **References**
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300
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301 If you use this Galaxy tool in work leading to a scientific publication please
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302 cite the following papers:
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303
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304 @REFERENCES@
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305 </help>
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306 <expand macro="blast_citations" />
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307 </tool>