Mercurial > repos > bgruening > spectral_hk
changeset 3:e9ed3c11cd6e draft default tip
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/spectral_hk commit ed9b6859de648aa5f7cde483732f5df20aaff90e
| author | bgruening |
|---|---|
| date | Tue, 07 May 2019 13:31:22 -0400 |
| parents | b00d3df62815 |
| children | |
| files | spectral_hk.xml |
| diffstat | 1 files changed, 10 insertions(+), 4 deletions(-) [+] |
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--- a/spectral_hk.xml Sat May 20 16:20:13 2017 -0400 +++ b/spectral_hk.xml Tue May 07 13:31:22 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>