Mercurial > repos > bgruening > sucos_docking_scoring
changeset 5:fe318c648502 draft
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/sucos commit 944ea4bb8a9cd4244152a4a4fecd0485fabc2ad0"
author | bgruening |
---|---|
date | Tue, 28 Jul 2020 08:48:35 -0400 |
parents | a574f6e8b909 |
children | 4f1896782f7c |
files | sucos.xml sucos_macros.xml |
diffstat | 2 files changed, 4 insertions(+), 2 deletions(-) [+] |
line wrap: on
line diff
--- a/sucos.xml Wed Apr 15 09:27:14 2020 -0400 +++ b/sucos.xml Tue Jul 28 08:48:35 2020 -0400 @@ -1,7 +1,8 @@ -<tool id="sucos_docking_scoring" name="Score docked poses using SuCOS" version="0.1.1"> +<tool id="sucos_docking_scoring" name="Score docked poses using SuCOS" version="@TOOL_VERSION@+galaxy@GALAXY_VERSION@"> <description>- compare shape and feature overlap of docked ligand poses to a reference molecule</description> <macros> <import>sucos_macros.xml</import> + <token name="@GALAXY_VERSION@">0</token> </macros> <expand macro="requirements"/> <command detect_errors="exit_code"><![CDATA[
--- a/sucos_macros.xml Wed Apr 15 09:27:14 2020 -0400 +++ b/sucos_macros.xml Tue Jul 28 08:48:35 2020 -0400 @@ -1,4 +1,5 @@ <macros> + <token name="@TOOL_VERSION@">2020.03.4</token> <xml name="citations"> <citations> <citation type="doi">10.26434/chemrxiv.8100203.v1</citation> @@ -12,7 +13,7 @@ </xml> <xml name="requirements"> <requirements> - <requirement type="package" version="2019.03.2.0">rdkit</requirement> + <requirement type="package" version="@TOOL_VERSION@">rdkit</requirement> <yield /> </requirements> </xml>