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Commit 511fc31

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planemo-autoupdate
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Updating chemicaltoolbox/rdkit from version 2020.03.4 to 2024.09.6
1 parent e08711c commit 511fc31

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4 files changed

+5
-5
lines changed

4 files changed

+5
-5
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chemicaltoolbox/rdkit/enumerate_charges.xml

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<tool id="enumerate_charges" name="Enumerate changes" version="@TOOL_VERSION@+galaxy@GALAXY_VERSION@">
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<description>calculated with Dimorphite DL and RDKit</description>
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<macros>
4-
<token name="@TOOL_VERSION@">2020.03.4</token>
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<token name="@TOOL_VERSION@">2024.09.6</token>
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<token name="@GALAXY_VERSION@">0</token>
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</macros>
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<requirements>

chemicaltoolbox/rdkit/rdconf.xml

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<tool id="rdconf" name="RDConf: Low-energy ligand conformer search" version="@TOOL_VERSION@+galaxy@GALAXY_VERSION@">
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<description>using RDKit</description>
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<macros>
4-
<token name="@TOOL_VERSION@">2020.03.4</token>
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<token name="@TOOL_VERSION@">2024.09.6</token>
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<token name="@GALAXY_VERSION@">0</token>
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</macros>
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<requirements>

chemicaltoolbox/rdkit/rdkit_descriptors.xml

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@@ -1,8 +1,8 @@
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<tool id="ctb_rdkit_descriptors" name="Descriptors" version="@TOOL_VERSION@+galaxy@GALAXY_VERSION@">
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<description>calculated with RDKit</description>
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<macros>
4-
<token name="@TOOL_VERSION@">2020.03.4</token>
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<token name="@GALAXY_VERSION@">1</token>
4+
<token name="@TOOL_VERSION@">2024.09.6</token>
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<token name="@GALAXY_VERSION@">0</token>
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</macros>
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<!--parallelism method="multi" split_inputs="infile" split_mode="to_size" split_size="10000" shared_inputs="" merge_outputs="outfile"></parallelism-->
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<requirements>

chemicaltoolbox/rdkit/sdf_to_tab.xml

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@@ -1,6 +1,6 @@
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<tool id="sdf_to_tab" name="Extract values from an SD-file" version="@TOOL_VERSION@+galaxy@GALAXY_VERSION@">
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<macros>
3-
<token name="@TOOL_VERSION@">2020.03.4</token>
3+
<token name="@TOOL_VERSION@">2024.09.6</token>
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<token name="@GALAXY_VERSION@">0</token>
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</macros>
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<description>into a tabular file using RDKit</description>

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