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Add EDAM identifiers: Retip and recetox-msfinder #420

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Oct 21, 2023
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Add EDAM identifiers: Retip and recetox-msfinder #420

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5 changes: 5 additions & 0 deletions tools/recetox_msfinder/macros.xml
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Expand Up @@ -18,6 +18,11 @@
name="RECETOX MUNI" />
</creator>
</xml>
<xml name="refs">
<xrefs>
<xref type="bio.tools">recetox-msfinder</xref>
</xrefs>
</xml>
<xml name="input">
<param name="input_data" type="data" format="msp" label="Input mass spectral library file to which to add peak annotations."
help="Formula and InChI (or SMILES) codes are required to be present in the library file" />
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3 changes: 2 additions & 1 deletion tools/recetox_msfinder/recetox_msfinder.xml
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@@ -1,8 +1,9 @@
<tool id="recetox_msfinder" name="RECETOX MsFinder" version="@TOOL_VERSION@+galaxy1">
<tool id="recetox_msfinder" name="RECETOX MsFinder" version="@TOOL_VERSION@+galaxy2">
<description>Annotation of fragment peaks in mass spectral libraries.</description>
<macros>
<import>macros.xml</import>
</macros>
<expand macro="refs"/>
<expand macro="creator" />

<expand macro="requirements" />
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6 changes: 6 additions & 0 deletions tools/retip/macros.xml
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Expand Up @@ -20,6 +20,12 @@
</creator>
</xml>

<xml name="refs">
<xrefs>
<xref type="bio.tools">retip</xref>
</xrefs>
</xml>

<xml name="requirements">
<requirements>
<container type="docker">recetox/retip:@TOOL_VERSION@-recetox4</container>
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3 changes: 2 additions & 1 deletion tools/retip/retip_apply.xml
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@@ -1,8 +1,9 @@
<tool id="retip_apply" name="Retip prediction" version="@TOOL_VERSION@+galaxy4">
<tool id="retip_apply" name="Retip prediction" version="@TOOL_VERSION@+galaxy5">
<description>is retention time predictor for Metabolomics</description>
<macros>
<import>macros.xml</import>
</macros>
<expand macro="refs"/>
<expand macro="creator"/>

<expand macro="requirements"/>
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3 changes: 2 additions & 1 deletion tools/retip/retip_descriptors.xml
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@@ -1,8 +1,9 @@
<tool id="retip_descriptors" name="Retip chemical descriptors" version="@TOOL_VERSION@+galaxy4">
<tool id="retip_descriptors" name="Retip chemical descriptors" version="@TOOL_VERSION@+galaxy5">
<description>for retention time prediction</description>
<macros>
<import>macros.xml</import>
</macros>
<expand macro="refs"/>
<expand macro="creator"/>

<expand macro="requirements"/>
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3 changes: 2 additions & 1 deletion tools/retip/retip_filter_rt.xml
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@@ -1,8 +1,9 @@
<tool id="retip_filter_rt" name="Retip filter" version="@TOOL_VERSION@+galaxy4">
<tool id="retip_filter_rt" name="Retip filter" version="@TOOL_VERSION@+galaxy5">
<description>for predicted RT's</description>
<macros>
<import>macros.xml</import>
</macros>
<expand macro="refs"/>
<expand macro="creator"/>

<expand macro="requirements"/>
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3 changes: 2 additions & 1 deletion tools/retip/retip_train.xml
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@@ -1,8 +1,9 @@
<tool id="retip_train" name="Retip training" version="@TOOL_VERSION@+galaxy4">
<tool id="retip_train" name="Retip training" version="@TOOL_VERSION@+galaxy5">
<description>the Keras model to predict retention times</description>
<macros>
<import>macros.xml</import>
</macros>
<expand macro="refs"/>
<expand macro="creator"/>

<expand macro="requirements"/>
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