Mercurial > repos > chemteam > gmx_restraints

changeset 11:f9dd1349d76d draft

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"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/gromacs commit 0941b05e72c90bcf5521efa52767390864be5033"
author chemteam
date Wed, 01 Dec 2021 15:32:31 +0000
parents 3f50a097ff35
children 9dde06738154
files macros.xml
diffstat 1 files changed, 16 insertions(+), 0 deletions(-) [+]
line wrap: on
line diff
--- a/macros.xml	Tue Nov 30 15:29:51 2021 +0000
+++ b/macros.xml	Wed Dec 01 15:32:31 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"/>