Mercurial > repos > bgruening > autodock_vina_prepare_box
diff prepare_box.xml @ 5:668c60aa4799 draft
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 26e9f1627e91a4be6bdc7e71cd44f1ea1701ee6f"
author | bgruening |
---|---|
date | Thu, 22 Jul 2021 14:04:57 +0000 |
parents | ad35eaa204ea |
children | 8f766d9652a2 |
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--- a/prepare_box.xml Tue Jul 28 08:16:17 2020 -0400 +++ b/prepare_box.xml Thu Jul 22 14:04:57 2021 +0000 @@ -1,6 +1,6 @@ <tool id="prepare_box" name="Calculate the box parameters using RDKit" version="@TOOL_VERSION@+galaxy@GALAXY_VERSION@"> <macros> - <token name="@TOOL_VERSION@">2020.03.4</token> + <token name="@TOOL_VERSION@">2021.03.4</token> <token name="@GALAXY_VERSION@">0</token> </macros> <description>for an AutoDock Vina job from a ligand input file (confounding box)</description> @@ -82,7 +82,7 @@ **Description** This tool calculates a confounding box around an input ligand and -uses it to generate the input parameters for an autodock vina job. +uses it to generate the input parameters for an AutoDock Vina job. The output file can be fed into the AutoDock Vina tool as an alternative to creating the parameter file manually.