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1 <tool id="predict_pipeline" name="RNA Structure Prediction" version="1.0">
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2 <description></description>
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3 <command interpreter="python">
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4 #if $reactivity.type == "restraint"
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5 predict_RNAs.py $rna_list $reference_file $reactivity.type $temperature $output $reactivity.reactivity_file $reactivity.slope $reactivity.intercept
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6 #else
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7 predict_RNAs.py $rna_list $reference_file $reactivity.type $temperature $output
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8 #end if
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9 </command>
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10 <requirements>
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11 <requirement type="package" version="1.61">biopython</requirement>
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12 <requirement type="package" version="1.7.1">numpy</requirement>
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13 <requirement type="package" version="1.2.1">matplotlib</requirement>
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14 </requirements>
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15 <inputs>
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16 <param name="rna_list" type="data" format="txt" label="List of RNA ids to predict"/>
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17 <param name="reference_file" type="data" format="fasta" label="Reference genome/transcriptome"/>
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18 <param name="temperature" type="float" value="310.15" label="Temperature (K)"/>
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19 <conditional name="reactivity">
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20 <param name="type" type="select" label="RNA structure prediction type">
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21 <option value="silico">In silico</option>
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22 <option value="restraint">With experimental restraints</option>
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23 </param>
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24 <when value="silico"/>
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25 <when value="restraint">
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26 <param name="reactivity_file" type="data" label="Reactivity file"/>
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27 <param name="slope" type="float" value="1.8" label="Slope used with structural restraints"/>
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28 <param name="intercept" type="float" value="-0.6" label="Intercept used with structural restraints"/>
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29 </when>
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30 </conditional>
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31
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32 </inputs>
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33 <outputs>
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34 <data name="output" format=".tgz"/>
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35 </outputs>
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36
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37 <help>
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38
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39
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40 **TIPS**:
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41
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42 -----
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43
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44 **Input**:
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45
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46 * 1. A file with transcript Ids (Max num. 100), (each ID one line)
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47 * 2. Reference file (fasta) used to map the reads to
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48 * 3. Temperature for RNA structure prediction
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49 * [Optional]:
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50 * 1. A reactivity file with structural reactivity for each nucleotide on the sequence provided
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51 * 2. Slope used with structural restraints (default 1.8)
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52 * 3. Intercept used with structural restraints (default -0.6)
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53
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54 -----
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55
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56 **Output**:
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57
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58 * 1. .ct files with predicted RNA structures [transciptID.ct]
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59 * 2. .ps files which depict the predicted RNA structures [[transciptID.ps]
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60 * [Optional]
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61 * 3. .png files that shows the distribution of the reactivity of each nucleotide on the transcripts of interest. [transciptID.png]
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62
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63 -----
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64
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65 **Attention**
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66
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67 Make sure any of the transcript Ids does not contain "|" or space!
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68
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69 -----
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70
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71 **Backend program**:
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72
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73 * 1. This module is using RNAstructure (http://rna.urmc.rochester.edu/RNAstructure.html) as the backend program to predict RNA structures.
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74 * 2. Default parameters are used for RNAstructure expect -T (Temperature), -sm (slope used with SHAPE restraints) and -si (intercept used with SHAPE restraints) which users can specify the value
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75
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76
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77
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78 </help>
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79 </tool>
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