Repository 'mdanalysis_distance'
hg clone https://toolshed.g2.bx.psu.edu/repos/chemteam/mdanalysis_distance

Changeset 2:46892d756cec (2019-01-13)
Previous changeset 1:2b1434ec8c7e (2018-12-20) Next changeset 3:489b25966bb9 (2019-04-03)
Commit message:
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 8e1fece3eaef36823e90f5d10f8bb8b809544c55
modified:
distance.xml
added:
test-data/Angle_Analysis_raw_data.tabular
test-data/Dihedral_analysis_raw_data.tabular
test-data/Distance_Analysis_raw_data.tabular
test-data/RDF_raw_data.tabular
removed:
test-data/Angle_Analysis_raw_data.csv
test-data/Dihedral_analysis_raw_data.csv
test-data/Distance_Analysis_raw_data.csv
test-data/RDF_raw_data.csv
test-data/Ramachandran_Plot.png
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diff -r 2b1434ec8c7e -r 46892d756cec distance.xml
--- a/distance.xml Thu Dec 20 06:48:23 2018 -0500
+++ b/distance.xml Sun Jan 13 03:22:41 2019 -0500
[
@@ -41,11 +41,7 @@
             <param name="segid2" value="HET"/>
             <param name="resid2" value="3"/>
             <param name="name2" value="C1"/>
-            <output name="output">
-              <assert_contents>
-                <has_n_columns n="2" />
-              </assert_contents>
-             </output>
+            <output name="output" file="Distance_Analysis_raw_data.tabular" />
         </test>
     </tests>
     <help><![CDATA[
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diff -r 2b1434ec8c7e -r 46892d756cec test-data/Angle_Analysis_raw_data.csv
--- a/test-data/Angle_Analysis_raw_data.csv Thu Dec 20 06:48:23 2018 -0500
+++ /dev/null Thu Jan 01 00:00:00 1970 +0000
b
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diff -r 2b1434ec8c7e -r 46892d756cec test-data/Angle_Analysis_raw_data.tabular
--- /dev/null Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/Angle_Analysis_raw_data.tabular Sun Jan 13 03:22:41 2019 -0500
b
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b
diff -r 2b1434ec8c7e -r 46892d756cec test-data/Dihedral_analysis_raw_data.csv
--- a/test-data/Dihedral_analysis_raw_data.csv Thu Dec 20 06:48:23 2018 -0500
+++ /dev/null Thu Jan 01 00:00:00 1970 +0000
b
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b
diff -r 2b1434ec8c7e -r 46892d756cec test-data/Dihedral_analysis_raw_data.tabular
--- /dev/null Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/Dihedral_analysis_raw_data.tabular Sun Jan 13 03:22:41 2019 -0500
b
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+14.0 -71.01850912317343
b
diff -r 2b1434ec8c7e -r 46892d756cec test-data/Distance_Analysis_raw_data.csv
--- a/test-data/Distance_Analysis_raw_data.csv Thu Dec 20 06:48:23 2018 -0500
+++ /dev/null Thu Jan 01 00:00:00 1970 +0000
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-13  3.3456264
-14  3.2583153
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diff -r 2b1434ec8c7e -r 46892d756cec test-data/Distance_Analysis_raw_data.tabular
--- /dev/null Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/Distance_Analysis_raw_data.tabular Sun Jan 13 03:22:41 2019 -0500
b
@@ -0,0 +1,15 @@
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diff -r 2b1434ec8c7e -r 46892d756cec test-data/RDF_raw_data.csv
--- a/test-data/RDF_raw_data.csv Thu Dec 20 06:48:23 2018 -0500
+++ /dev/null Thu Jan 01 00:00:00 1970 +0000
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diff -r 2b1434ec8c7e -r 46892d756cec test-data/RDF_raw_data.tabular
--- /dev/null Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/RDF_raw_data.tabular Sun Jan 13 03:22:41 2019 -0500
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diff -r 2b1434ec8c7e -r 46892d756cec test-data/Ramachandran_Plot.png
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Binary file test-data/Ramachandran_Plot.png has changed