Mercurial > repos > bgruening > ctb_im_constrained_conf_gen

changeset 1:572d6f97915b draft default tip

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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/im-pipelines commit d1d0ec4ebc97b2274b18a0aab99f41addd5357ae"
author bgruening
date Mon, 27 Jul 2020 15:28:28 +0000
parents f5e232234163
children
files macros.xml test-data/poses.sdf
diffstat 2 files changed, 11 insertions(+), 11 deletions(-) [+]
line wrap: on
line diff
--- a/macros.xml	Tue Jul 21 09:20:15 2020 +0000
+++ b/macros.xml	Mon Jul 27 15:28:28 2020 +0000
@@ -1,5 +1,5 @@
 <macros>
-    <token name="@TOOL_VERSION@">1.1.3</token>
+    <token name="@TOOL_VERSION@">1.1.4</token>
     <xml name="requirements">
         <requirements>
             <requirement type="package" version="@TOOL_VERSION@">im-pipelines</requirement>
@@ -7,7 +7,7 @@
     </xml>
 
     <xml name="input">
-        <param name="infile" type="data" format="sdf" label="Input file" help="Input file in SDF or JSON format"/>
+        <param name="infile" type="data" format="sdf" label="Input file" help="Input file in SDF format"/>
     </xml>
 
     <xml name="outputs" token_output_format="sdf" token_filetype="sdf">
@@ -21,16 +21,16 @@
         <citations>
             <citation type="bibtex">
                 @article{rdkit,
-                    author = {Greg Landrum and others},
-                    title = {RDKit: Open-source cheminformatics},
-                    url = {http://www.rdkit.org}
-            }</citation>
+                author = {Greg Landrum and others},
+                title = {RDKit: Open-source cheminformatics},
+                url = {http://www.rdkit.org}
+                }</citation>
             <citation type="bibtex">
                 @article{im-pipelines,
-                    author = {Tim Dudgeon and others},
-                    title = {InformaticsMatters pipeline components for cheminformatics and computational chemistry.},
-                    url = {https://github.com/InformaticsMatters/pipelines}
-            }</citation>
+                author = {Tim Dudgeon and others},
+                title = {InformaticsMatters pipeline components for cheminformatics and computational chemistry.},
+                url = {https://github.com/InformaticsMatters/pipelines}
+                }</citation>
             <yield />
         </citations>
     </xml>
--- a/test-data/poses.sdf	Tue Jul 21 09:20:15 2020 +0000
+++ b/test-data/poses.sdf	Mon Jul 27 15:28:28 2020 +0000
@@ -961,4 +961,4 @@
 >  <TETHERED ATOMS>  (14)
 1,2,3,4,5,6,7,8,9,10,11,15,16
 
-$$$$
+$$$$
\ No newline at end of file