--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/PDAUG_Peptide_Core_Descriptors/PDAUG_Peptide_Core_Descriptors.xml	Wed Oct 28 02:12:57 2020 +0000
@@ -0,0 +1,78 @@
+<tool id="pdaug_peptide_core_descriptors" name="PDAUG Peptide Core Descriptors" version="0.1.0">
+  <description>Calculates core descriptors of peptide sequences</description>
+
+  <requirements>
+    <requirement type="package" version="0.24.2">pandas</requirement>
+    <requirement type="package" version="4.2.1">modlamp</requirement> 
+  </requirements>
+  <stdio>
+    <exit_code range="1" level="fatal" />
+  </stdio>
+    <command detect_errors="exit_code"><![CDATA[
+
+        python '$__tool_directory__/PDAUG_Peptide_Core_Descriptors.py'  -I '$input1' -N '$ngrams' -O '$output1'              
+
+    ]]></command>
+
+  <inputs>
+    <param name="input1" type="data" label="Input file" format="fasta" argument= "--InFile1" help="Input fasta file with peptides"/>
+    <param name="ngrams"  type="integer" label="ngram size" value="3" help="ngram size"/>
+  </inputs>
+
+  <outputs>
+        <data name='output1' format='tabular' label="${tool.name} on $on_string - n-grams (tabular)" />    
+  </outputs>
+  <tests>
+    <test>
+      <param name="input1" value="test.fasta"/>
+      <param name="ngrams" value="3" />
+      <output name="output1" file="Out.tsv"/>
+    </test>
+  </tests>
+    <help><![CDATA[
+.. class:: infomark
+
+**What it does**
+
+Calculates the frequency of ngrames in peptide sequences.
+
+-----
+
+**Inputs**
+    * **--InFile** Fasta file with peptide sequences as Input File.
+    * **--Ngrams** Integer value of Ngrams frequency to be calculated.  
+    
+-----
+
+**Outputs**
+    * **--OutFile** Returns tabular data file. ]]></help>
+<citations>
+  <citation type="bibtex">
+    @misc{PDAUGGITHUB, 
+      author = {Joshi, Jayadev  and Blankenberg, Daniel}, 
+      year = {2020}, 
+      title ={PDAUG - a Galaxy based toolset for peptide library analysis, visualization, and machine learning modeling}, 
+      publisher = {GitHub}, 
+      journal = {GitHub repository}, 
+      url =
+      {https://github.com/jaidevjoshi83/pdaug.git}, 
+    }
+</citation>
+
+<citation type="bibtex">
+    @article{müller_gabernet_hiss_schneider_2017, 
+      title={modlAMP: Python for antimicrobial peptides}, 
+      volume={33}, 
+      DOI={10.1093/bioinformatics/btx285}, 
+      number={17}, 
+      journal={Bioinformatics}, 
+      author={Müller, Alex T and Gabernet, Gisela and Hiss, Jan A and Schneider, Gisbert}, 
+      year={2017}, 
+      pages={2753–2755}
+    }
+  </citation>
+</citations>
+</tool>
+
+
+