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update openbabel to version 2.4.1
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@bgruening
bgruening committed May 21, 2017
1 parent 73bf5b4 commit 9ec6c13
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Showing 28 changed files with 56 additions and 56 deletions.
4 changes: 2 additions & 2 deletions lib/galaxy/datatypes/converters/cml_to_inchi_converter.xml
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@@ -1,8 +1,8 @@
<tool id="CONVERTER_cml_to_inchi" name="CML to InChI" version="1.0.0">
<tool id="CONVERTER_cml_to_inchi" name="CML to InChI" version="2.4.1">
<description></description>
<parallelism method="multi" split_inputs="input" split_mode="to_size" split_size="10000" shared_inputs="" merge_outputs="output"></parallelism>
<requirements>
<requirement type="package" version="2.3.2">openbabel</requirement>
<requirement type="package" version="2.4.1">openbabel</requirement>
</requirements>
<command>
<![CDATA[
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4 changes: 2 additions & 2 deletions lib/galaxy/datatypes/converters/cml_to_mol2_converter.xml
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@@ -1,8 +1,8 @@
<tool id="CONVERTER_cml_to_mol2" name="CML to mol2" version="1.0.0">
<tool id="CONVERTER_cml_to_mol2" name="CML to mol2" version="2.4.1">
<description></description>
<parallelism method="multi" split_inputs="input" split_mode="to_size" split_size="10000" shared_inputs="" merge_outputs="output"></parallelism>
<requirements>
<requirement type="package" version="2.3.2">openbabel</requirement>
<requirement type="package" version="2.4.1">openbabel</requirement>
</requirements>
<command>
<![CDATA[
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4 changes: 2 additions & 2 deletions lib/galaxy/datatypes/converters/cml_to_sdf_converter.xml
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@@ -1,8 +1,8 @@
<tool id="CONVERTER_cml_to_sdf" name="CML to SDF" version="1.0.0">
<tool id="CONVERTER_cml_to_sdf" name="CML to SDF" version="2.4.1">
<description></description>
<parallelism method="multi" split_inputs="input" split_mode="to_size" split_size="10000" shared_inputs="" merge_outputs="output"></parallelism>
<requirements>
<requirement type="package" version="2.3.2">openbabel</requirement>
<requirement type="package" version="2.4.1">openbabel</requirement>
</requirements>
<command>
<![CDATA[
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4 changes: 2 additions & 2 deletions lib/galaxy/datatypes/converters/cml_to_smi_converter.xml
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@@ -1,8 +1,8 @@
<tool id="CONVERTER_cml_to_smiles" name="CML to SMILES" version="1.0.0">
<tool id="CONVERTER_cml_to_smiles" name="CML to SMILES" version="2.4.1">
<description></description>
<parallelism method="multi" split_inputs="input" split_mode="to_size" split_size="10000" shared_inputs="" merge_outputs="output"></parallelism>
<requirements>
<requirement type="package" version="2.3.2">openbabel</requirement>
<requirement type="package" version="2.4.1">openbabel</requirement>
</requirements>
<command >
<![CDATA[
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4 changes: 2 additions & 2 deletions lib/galaxy/datatypes/converters/inchi_to_cml_converter.xml
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@@ -1,8 +1,8 @@
<tool id="CONVERTER_inchi_to_cml" name="InChI to CML" version="1.0.0">
<tool id="CONVERTER_inchi_to_cml" name="InChI to CML" version="2.4.1">
<description></description>
<parallelism method="multi" split_inputs="input" split_mode="to_size" split_size="10000" shared_inputs="" merge_outputs="output"></parallelism>
<requirements>
<requirement type="package" version="2.3.2">openbabel</requirement>
<requirement type="package" version="2.4.1">openbabel</requirement>
</requirements>
<command>
<![CDATA[
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4 changes: 2 additions & 2 deletions lib/galaxy/datatypes/converters/inchi_to_mol2_converter.xml
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@@ -1,8 +1,8 @@
<tool id="CONVERTER_inchi_to_mol2" name="InChI to MOL2" version="1.0.0">
<tool id="CONVERTER_inchi_to_mol2" name="InChI to MOL2" version="2.4.1">
<description></description>
<parallelism method="multi" split_inputs="input" split_mode="to_size" split_size="10000" shared_inputs="" merge_outputs="output"></parallelism>
<requirements>
<requirement type="package" version="2.3.2">openbabel</requirement>
<requirement type="package" version="2.4.1">openbabel</requirement>
</requirements>
<command>
<![CDATA[
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4 changes: 2 additions & 2 deletions lib/galaxy/datatypes/converters/inchi_to_mol_converter.xml
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@@ -1,8 +1,8 @@
<tool id="CONVERTER_inchi_to_mol" name="InChI to MOL" version="1.0.0">
<tool id="CONVERTER_inchi_to_mol" name="InChI to MOL" version="2.4.1">
<description></description>
<parallelism method="multi" split_inputs="input" split_mode="to_size" split_size="10000" shared_inputs="" merge_outputs="output"></parallelism>
<requirements>
<requirement type="package" version="2.3.2">openbabel</requirement>
<requirement type="package" version="2.4.1">openbabel</requirement>
</requirements>
<command>
<![CDATA[
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4 changes: 2 additions & 2 deletions lib/galaxy/datatypes/converters/inchi_to_sdf_converter.xml
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@@ -1,8 +1,8 @@
<tool id="CONVERTER_inchi_to_sdf" name="InChI to SDF" version="1.0.0">
<tool id="CONVERTER_inchi_to_sdf" name="InChI to SDF" version="2.4.1">
<description></description>
<parallelism method="multi" split_inputs="input" split_mode="to_size" split_size="10000" shared_inputs="" merge_outputs="output"></parallelism>
<requirements>
<requirement type="package" version="2.3.2">openbabel</requirement>
<requirement type="package" version="2.4.1">openbabel</requirement>
</requirements>
<command>
<![CDATA[
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4 changes: 2 additions & 2 deletions lib/galaxy/datatypes/converters/inchi_to_smi_converter.xml
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@@ -1,8 +1,8 @@
<tool id="CONVERTER_inchi_to_smi" name="InChI to SMILES" version="1.0.0">
<tool id="CONVERTER_inchi_to_smi" name="InChI to SMILES" version="2.4.1">
<description></description>
<parallelism method="multi" split_inputs="input" split_mode="to_size" split_size="10000" shared_inputs="" merge_outputs="output"></parallelism>
<requirements>
<requirement type="package" version="2.3.2">openbabel</requirement>
<requirement type="package" version="2.4.1">openbabel</requirement>
</requirements>
<command>
<![CDATA[
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4 changes: 2 additions & 2 deletions lib/galaxy/datatypes/converters/mol2_to_cml_converter.xml
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@@ -1,8 +1,8 @@
<tool id="CONVERTER_mol2_to_cml" name="MOL2 to CML" version="1.0.0">
<tool id="CONVERTER_mol2_to_cml" name="MOL2 to CML" version="2.4.1">
<description></description>
<parallelism method="multi" split_inputs="input" split_mode="to_size" split_size="10000" shared_inputs="" merge_outputs="output"></parallelism>
<requirements>
<requirement type="package" version="2.3.2">openbabel</requirement>
<requirement type="package" version="2.4.1">openbabel</requirement>
</requirements>
<command>
<![CDATA[
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4 changes: 2 additions & 2 deletions lib/galaxy/datatypes/converters/mol2_to_inchi_converter.xml
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@@ -1,8 +1,8 @@
<tool id="CONVERTER_mol2_to_inchi" name="MOL2 to InChI" version="1.0.0">
<tool id="CONVERTER_mol2_to_inchi" name="MOL2 to InChI" version="2.4.1">
<description></description>
<parallelism method="multi" split_inputs="input" split_mode="to_size" split_size="10000" shared_inputs="" merge_outputs="output"></parallelism>
<requirements>
<requirement type="package" version="2.3.2">openbabel</requirement>
<requirement type="package" version="2.4.1">openbabel</requirement>
</requirements>
<command>
<![CDATA[
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4 changes: 2 additions & 2 deletions lib/galaxy/datatypes/converters/mol2_to_mol_converter.xml
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@@ -1,8 +1,8 @@
<tool id="CONVERTER_mol2_to_mol" name="MOL2 to MOL" version="1.0.0">
<tool id="CONVERTER_mol2_to_mol" name="MOL2 to MOL" version="2.4.1">
<description></description>
<parallelism method="multi" split_inputs="input" split_mode="to_size" split_size="10000" shared_inputs="" merge_outputs="output"></parallelism>
<requirements>
<requirement type="package" version="2.3.2">openbabel</requirement>
<requirement type="package" version="2.4.1">openbabel</requirement>
</requirements>
<command>
<![CDATA[
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4 changes: 2 additions & 2 deletions lib/galaxy/datatypes/converters/mol2_to_sdf_converter.xml
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@@ -1,8 +1,8 @@
<tool id="CONVERTER_mol2_to_sdf" name="MOL2 to SDF" version="1.0.0">
<tool id="CONVERTER_mol2_to_sdf" name="MOL2 to SDF" version="2.4.1">
<description></description>
<parallelism method="multi" split_inputs="input" split_mode="to_size" split_size="10000" shared_inputs="" merge_outputs="output"></parallelism>
<requirements>
<requirement type="package" version="2.3.2">openbabel</requirement>
<requirement type="package" version="2.4.1">openbabel</requirement>
</requirements>
<command>
<![CDATA[
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4 changes: 2 additions & 2 deletions lib/galaxy/datatypes/converters/mol2_to_smi_converter.xml
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@@ -1,8 +1,8 @@
<tool id="CONVERTER_mol2_to_smi" name="MOL2 to SMILES" version="1.0.0">
<tool id="CONVERTER_mol2_to_smi" name="MOL2 to SMILES" version="2.4.1">
<description></description>
<parallelism method="multi" split_inputs="input" split_mode="to_size" split_size="10000" shared_inputs="" merge_outputs="output"></parallelism>
<requirements>
<requirement type="package" version="2.3.2">openbabel</requirement>
<requirement type="package" version="2.4.1">openbabel</requirement>
</requirements>
<command>
<![CDATA[
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4 changes: 2 additions & 2 deletions lib/galaxy/datatypes/converters/mol_to_cml_converter.xml
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@@ -1,7 +1,7 @@
<tool id="CONVERTER_mol_to_cml" name="MOL to CML" version="1.0.0">
<tool id="CONVERTER_mol_to_cml" name="MOL to CML" version="2.4.1">
<description></description>
<requirements>
<requirement type="package" version="2.3.2">openbabel</requirement>
<requirement type="package" version="2.4.1">openbabel</requirement>
</requirements>
<command>
<![CDATA[
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4 changes: 2 additions & 2 deletions lib/galaxy/datatypes/converters/mol_to_inchi_converter.xml
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@@ -1,7 +1,7 @@
<tool id="CONVERTER_mol_to_mol2" name="MOL to MOL2" version="1.0.0">
<tool id="CONVERTER_mol_to_mol2" name="MOL to MOL2" version="2.4.1">
<description></description>
<requirements>
<requirement type="package" version="2.3.2">openbabel</requirement>
<requirement type="package" version="2.4.1">openbabel</requirement>
</requirements>
<command>
<![CDATA[
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4 changes: 2 additions & 2 deletions lib/galaxy/datatypes/converters/mol_to_mol2_converter.xml
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@@ -1,7 +1,7 @@
<tool id="CONVERTER_mol_to_mol2" name="MOL to MOL2" version="1.0.0">
<tool id="CONVERTER_mol_to_mol2" name="MOL to MOL2" version="2.4.1">
<description></description>
<requirements>
<requirement type="package" version="2.3.2">openbabel</requirement>
<requirement type="package" version="2.4.1">openbabel</requirement>
</requirements>
<command>
<![CDATA[
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4 changes: 2 additions & 2 deletions lib/galaxy/datatypes/converters/mol_to_smi_converter.xml
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@@ -1,7 +1,7 @@
<tool id="CONVERTER_mol_to_smi" name="MOL to SMILES" version="1.0.0">
<tool id="CONVERTER_mol_to_smi" name="MOL to SMILES" version="2.4.1">
<description></description>
<requirements>
<requirement type="package" version="2.3.2">openbabel</requirement>
<requirement type="package" version="2.4.1">openbabel</requirement>
</requirements>
<command>
<![CDATA[
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4 changes: 2 additions & 2 deletions lib/galaxy/datatypes/converters/sdf_to_cml_converter.xml
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@@ -1,8 +1,8 @@
<tool id="CONVERTER_sdf_to_cml" name="SDF to CML" version="1.0.0">
<tool id="CONVERTER_sdf_to_cml" name="SDF to CML" version="2.4.1">
<description></description>
<parallelism method="multi" split_inputs="input" split_mode="to_size" split_size="10000" shared_inputs="" merge_outputs="output"></parallelism>
<requirements>
<requirement type="package" version="2.3.2">openbabel</requirement>
<requirement type="package" version="2.4.1">openbabel</requirement>
</requirements>
<command>
<![CDATA[
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4 changes: 2 additions & 2 deletions lib/galaxy/datatypes/converters/sdf_to_inchi_converter.xml
View file
@@ -1,8 +1,8 @@
<tool id="CONVERTER_sdf_to_inchi" name="SDF to InChI" version="1.0.0">
<tool id="CONVERTER_sdf_to_inchi" name="SDF to InChI" version="2.4.1">
<description></description>
<parallelism method="multi" split_inputs="input" split_mode="to_size" split_size="10000" shared_inputs="" merge_outputs="output"></parallelism>
<requirements>
<requirement type="package" version="2.3.2">openbabel</requirement>
<requirement type="package" version="2.4.1">openbabel</requirement>
</requirements>
<command>
<![CDATA[
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4 changes: 2 additions & 2 deletions lib/galaxy/datatypes/converters/sdf_to_mol2_converter.xml
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@@ -1,8 +1,8 @@
<tool id="CONVERTER_sdf_to_mol2" name="SDF to mol2" version="1.0.0">
<tool id="CONVERTER_sdf_to_mol2" name="SDF to mol2" version="2.4.1">
<description></description>
<parallelism method="multi" split_inputs="input" split_mode="to_size" split_size="10000" shared_inputs="" merge_outputs="output"></parallelism>
<requirements>
<requirement type="package" version="2.3.2">openbabel</requirement>
<requirement type="package" version="2.4.1">openbabel</requirement>
</requirements>
<command>
<![CDATA[
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4 changes: 2 additions & 2 deletions lib/galaxy/datatypes/converters/sdf_to_smi_converter.xml
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@@ -1,8 +1,8 @@
<tool id="CONVERTER_sdf_to_smiles" name="SDF to SMILES" version="1.0.1">
<tool id="CONVERTER_sdf_to_smiles" name="SDF to SMILES" version="2.4.1">
<description></description>
<parallelism method="multi" split_inputs="input" split_mode="to_size" split_size="10000" shared_inputs="" merge_outputs="output"></parallelism>
<requirements>
<requirement type="package" version="2.3.2">openbabel</requirement>
<requirement type="package" version="2.4.1">openbabel</requirement>
</requirements>
<command >
<![CDATA[
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4 changes: 2 additions & 2 deletions lib/galaxy/datatypes/converters/smi_to_cml_converter.xml
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@@ -1,8 +1,8 @@
<tool id="CONVERTER_SMILES_to_cml" name="SMILES to CML" version="1.0.0">
<tool id="CONVERTER_SMILES_to_cml" name="SMILES to CML" version="2.4.1">
<description></description>
<parallelism method="multi" split_inputs="input" split_mode="to_size" split_size="10000" shared_inputs="" merge_outputs="output"></parallelism>
<requirements>
<requirement type="package" version="2.3.2">openbabel</requirement>
<requirement type="package" version="2.4.1">openbabel</requirement>
</requirements>
<command>
<![CDATA[
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4 changes: 2 additions & 2 deletions lib/galaxy/datatypes/converters/smi_to_inchi_converter.xml
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@@ -1,8 +1,8 @@
<tool id="CONVERTER_SMILES_to_inchi" name="SMILES to InChI" version="1.0.0">
<tool id="CONVERTER_SMILES_to_inchi" name="SMILES to InChI" version="2.4.1">
<description></description>
<parallelism method="multi" split_inputs="input" split_mode="to_size" split_size="10000" shared_inputs="" merge_outputs="output"></parallelism>
<requirements>
<requirement type="package" version="2.3.2">openbabel</requirement>
<requirement type="package" version="2.4.1">openbabel</requirement>
</requirements>
<command>
<![CDATA[
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4 changes: 2 additions & 2 deletions lib/galaxy/datatypes/converters/smi_to_mol2_converter.xml
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@@ -1,8 +1,8 @@
<tool id="CONVERTER_SMILES_to_MOL2" name="SMILES to MOL2" version="1.0.0">
<tool id="CONVERTER_SMILES_to_MOL2" name="SMILES to MOL2" version="2.4.1">
<description></description>
<parallelism method="multi" split_inputs="input" split_mode="to_size" split_size="10000" shared_inputs="" merge_outputs="output"></parallelism>
<requirements>
<requirement type="package" version="2.3.2">openbabel</requirement>
<requirement type="package" version="2.4.1">openbabel</requirement>
</requirements>
<command>
<![CDATA[
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4 changes: 2 additions & 2 deletions lib/galaxy/datatypes/converters/smi_to_mol_converter.xml
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@@ -1,8 +1,8 @@
<tool id="CONVERTER_SMILES_to_MOL" name="SMILES to MOL" version="1.0.0">
<tool id="CONVERTER_SMILES_to_MOL" name="SMILES to MOL" version="2.4.1">
<description></description>
<parallelism method="multi" split_inputs="input" split_mode="to_size" split_size="10000" shared_inputs="" merge_outputs="output"></parallelism>
<requirements>
<requirement type="package" version="2.3.2">openbabel</requirement>
<requirement type="package" version="2.4.1">openbabel</requirement>
</requirements>
<command>
<![CDATA[
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4 changes: 2 additions & 2 deletions lib/galaxy/datatypes/converters/smi_to_sdf_converter.xml
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@@ -1,8 +1,8 @@
<tool id="CONVERTER_SMILES_to_sdf" name="SMILES to SDF" version="1.0.0">
<tool id="CONVERTER_SMILES_to_sdf" name="SMILES to SDF" version="2.4.1">
<description></description>
<parallelism method="multi" split_inputs="input" split_mode="to_size" split_size="10000" shared_inputs="" merge_outputs="output"></parallelism>
<requirements>
<requirement type="package" version="2.3.2">openbabel</requirement>
<requirement type="package" version="2.4.1">openbabel</requirement>
</requirements>
<command>
<![CDATA[
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4 changes: 2 additions & 2 deletions lib/galaxy/datatypes/converters/smi_to_smi_converter.xml
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@@ -1,8 +1,8 @@
<tool id="CONVERTER_smiles_to_smiles" name="SMILES to SMILES" version="1.0.0">
<tool id="CONVERTER_smiles_to_smiles" name="SMILES to SMILES" version="2.4.1">
<description></description>
<parallelism method="multi" split_inputs="input" split_mode="to_size" split_size="10000" shared_inputs="" merge_outputs="output"></parallelism>
<requirements>
<requirement type="package" version="2.3.2">openbabel</requirement>
<requirement type="package" version="2.4.1">openbabel</requirement>
</requirements>
<command >
<![CDATA[
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