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Updating tools/mdanalysis tool to 2.1.0 2.3.0 2.6.1 #116

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Updating tools/mdanalysis tool to 2.1.0 2.3.0 2.6.1 #116

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2 changes: 1 addition & 1 deletion tools/mdanalysis/extract_rmsd.xml
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Original file line number Diff line number Diff line change
Expand Up @@ -2,7 +2,7 @@
<description>from MD ensemble with MDAnalysis</description>
<macros>
<import>macros.xml</import>
<token name="@GALAXY_VERSION@">2</token>
<token name="@GALAXY_VERSION@">0</token>
</macros>
<expand macro="requirements"/>
<command detect_errors="exit_code"><![CDATA[
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2 changes: 1 addition & 1 deletion tools/mdanalysis/macros.xml
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Original file line number Diff line number Diff line change
@@ -1,5 +1,5 @@
<macros>
<token name="@TOOL_VERSION@">1.0.0</token>
<token name="@TOOL_VERSION@">2.10.0</token>
<xml name="requirements">
<requirements>
<requirement type="package" version="@TOOL_VERSION@">mdanalysis</requirement>
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6 changes: 3 additions & 3 deletions tools/mdanalysis/ramachandran_auto_protein.xml
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Original file line number Diff line number Diff line change
Expand Up @@ -5,9 +5,9 @@
<token name="@GALAXY_VERSION@">0</token>
</macros>
<expand macro="requirements">
<requirement type="package" version="0.10.0">seaborn</requirement>
<requirement type="package" version="2.10.0">h5py</requirement>
<requirement type="package" version="2.11.1">jinja2</requirement>
<requirement type="package" version="0.13.2">seaborn</requirement>
<requirement type="package" version="3.15.1">h5py</requirement>
<requirement type="package" version="3.1.6">jinja2</requirement>
</expand>
<command detect_errors="exit_code"><![CDATA[
python '$__tool_directory__/ramachandran_auto_protein.py'
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8 changes: 4 additions & 4 deletions tools/mdanalysis/ramachandran_plots.xml
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Expand Up @@ -5,10 +5,10 @@
<token name="@GALAXY_VERSION@">0</token>
</macros>
<expand macro="requirements">
<requirement type="package" version="1.5.2">scipy</requirement>
<requirement type="package" version="0.10.0">seaborn</requirement>
<requirement type="package" version="2.0.0">nbdime</requirement>
<requirement type="package" version="5.3.1">pyyaml</requirement>
<requirement type="package" version="1.17.0">scipy</requirement>
<requirement type="package" version="0.13.2">seaborn</requirement>
<requirement type="package" version="4.0.3">nbdime</requirement>
<requirement type="package" version="6.0.3">pyyaml</requirement>
</expand>
<command detect_errors="exit_code"><![CDATA[
python '$__tool_directory__/ramachandran_plots.py'
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