Mercurial > repos > chemteam > gmx_solvate
changeset 19:bd858380ad7a draft
"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/gromacs commit 0941b05e72c90bcf5521efa52767390864be5033"
author | chemteam |
---|---|
date | Wed, 01 Dec 2021 15:31:31 +0000 |
parents | ebcef04f4a78 |
children | 7568ae18908a |
files | macros.xml |
diffstat | 1 files changed, 16 insertions(+), 0 deletions(-) [+] |
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--- a/macros.xml Tue Nov 30 15:28:59 2021 +0000 +++ b/macros.xml Wed Dec 01 15:31:31 2021 +0000 @@ -77,6 +77,22 @@ </data> </xml> + <xml name="xvg_or_tab"> + <param argument="fmt" type='select' label="Output format" help="Format for output; either standard GROMACS XVG, or Galaxy tabular file."> + <option value="xvg">GROMACS XVG format</option> + <option value="tabular" selected="true">Galaxy tabular</option> + </param> + </xml> + + <xml name="xvg_or_tab_outputs" token_name="" token_label=""> + <data name="output1" format="xvg" from_work_dir="@NAME@.xvg" label="@LABEL@"> + <filter>fmt == 'xvg'</filter> + </data> + <data name="output2" format="tabular" from_work_dir="@NAME@.tabular" label="@LABEL@"> + <filter>fmt == 'tabular'</filter> + </data> + </xml> + <xml name="test_params"> <param name="mdpfile" value="default" /> <param name="step_length" value="0.002"/>