diff biotransformer.xml @ 3:6080aee7c4f6 draft

"planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/biotransformer commit 5cdd2628a1a509b3e0ccc599eaab63d664bf031a"
author recetox
date Wed, 13 Jan 2021 11:17:53 +0000
parents 3998017c374b
children 77f693bb14ac
line wrap: on
line diff
--- a/biotransformer.xml	Fri Sep 25 14:32:24 2020 +0000
+++ b/biotransformer.xml	Wed Jan 13 11:17:53 2021 +0000
@@ -1,4 +1,4 @@
-<tool id="biotransformer" name="BioTransformer" version="1.1.5+galaxy0">
+<tool id="biotransformer" name="BioTransformer" version="1.1.5+galaxy1">
   <requirements>
      <requirement type="package" version="1.1.5">biotransformer</requirement>
      <requirement type="package" version="3.1.1">openbabel</requirement>
@@ -73,17 +73,17 @@
 
 Parameters explanation:
 
-Input. Currently, only a CSV file with one SMILES per line is accepted.
+**Input.** Currently, only a CSV file with one SMILES per line is accepted.
 
-The type of description: Type of biotransformer - EC-based (ecbased), CYP450 (cyp450), Phase II (phaseII), Human gut
+**The type of prediction:** EC-based (ecbased), CYP450 (cyp450), Phase II (phaseII), Human gut
 microbial (hgut), human super transformer* (superbio, or allHuman), Environmental microbial (envimicro).
 
-The number of steps for the prediction. This option will be used for the EC-based, CYP450, Phase II, and Environmental
+**The number of steps for the prediction:** this option will be used for the EC-based, CYP450, Phase II, and Environmental
 microbial biotransformers. The default value is 1.
 
-Mass tolerance for metabolite identification (default is 0.01).
+**Mass tolerance for metabolite identification** (default is 0.01).
 
-Output of BioTransformer with CSV as an input are 3 CSV files. One without any filtering, second with filtered
+**Output of BioTransformer** with CSV as an input are 3 CSV files. One without any filtering, second with filtered
 duplicates based on 6 columns (InChI, InChIKey, Synonyms, Molecular formula, Major Isotope Mass, AlogP) and third with
 filtered duplicates based on 3 columns (Molecular formula, Major Isotope Mass, AlogP).