diff spectral_hk.xml @ 3:8ca108879c60 draft default tip

planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/spectral_hk commit ed9b6859de648aa5f7cde483732f5df20aaff90e

--- a/spectral_hk.xml	Sat May 20 16:20:27 2017 -0400
+++ b/spectral_hk.xml	Tue May 07 13:42:35 2019 -0400
@@ -1,5 +1,5 @@
-<tool id="spectral_hk" name="Spectral Hk" version="0.1.0">
-    <description>Convert InChIs to spectral hashkeys</description>
+<tool id="spectral_hk" name="Spectral hashkey" version="0.1.0">
+    <description>- convert InChIs to spectral hashkeys</description>
     <requirements>
         <requirement type="package" version="0.1">spectral_hk</requirement>
     </requirements>
@@ -9,7 +9,7 @@
 ]]>
     </command>
     <inputs>
-        <param format="inchi" name="input" type="data" label="Input File" />
+        <param format="inchi" name="input" type="data" label="Input file" />
     </inputs>
     <outputs>
         <data format="tabular" name="output" />
@@ -24,7 +24,7 @@
 <![CDATA[
 **What it does**
 
-Spectral_hk converts InChIs into spectral hash codes. A spectral hash code is a 30-character (150-bit) alphanumeric hash string that uniquely encodes an InChI. See the following example:
+This tool converts InChIs into spectral hash codes. A spectral hash code is a 30-character (150-bit) alphanumeric hash string that uniquely encodes an InChI. See the following example:
 
 .. image:: $PATH_TO_IMAGES/bild.png
 
@@ -37,5 +37,11 @@
 ]]>
     </help>
     <citations>
+        <citation type="bibtex">
+        @article{rdkit,
+            author = {NIH Chemical Genomics Center},
+            title = {Spectral HK},
+            url ={https://bitbucket.org/ncgc/spectral_hk/overview}
+        }</citation>
     </citations>
 </tool>