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view datatypes_conf.xml @ 8:72452a15bb2b

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ChemicalToolBoX update.
author Bjoern Gruening <bjoern.gruening@gmail.com>
date Mon, 27 May 2013 16:52:50 +0200
parents c5383bd4d006
children
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<?xml version="1.0"?>
  <datatypes>
   <datatype_files>
     <datatype_file name="molecules.py"/>
   </datatype_files>
   <registration>
        <!--Cheminformatics Datatypes -->
        <datatype extension="smi" type="galaxy.datatypes.molecules:SMILES" display_in_upload="True">
            <!-- The ordering is important. The first one is considered as default converter in the build-in conversion function -> (as sdf)-->
            <converter file="smi_to_sdf_converter.xml" target_datatype="sdf"/>
            <converter file="smi_to_inchi_converter.xml" target_datatype="inchi"/>
            <converter file="smi_to_cml_converter.xml" target_datatype="cml"/>
            <converter file="smi_to_mol_converter.xml" target_datatype="mol"/>
            <converter file="smi_to_mol2_converter.xml" target_datatype="mol2"/>
            <converter file="smi_to_smi_converter.xml" target_datatype="smi"/>
        </datatype>
        <datatype extension="sdf" type="galaxy.datatypes.molecules:SDF" display_in_upload="True">
            <converter file="sdf_to_smi_converter.xml" target_datatype="smi"/>
            <converter file="sdf_to_inchi_converter.xml" target_datatype="inchi"/>
            <converter file="sdf_to_mol2_converter.xml" target_datatype="mol2"/>
            <converter file="sdf_to_cml_converter.xml" target_datatype="cml"/>
        </datatype>
        <datatype extension="inchi" type="galaxy.datatypes.molecules:InChI" display_in_upload="True">
            <converter file="inchi_to_smi_converter.xml" target_datatype="smi"/>
            <converter file="inchi_to_sdf_converter.xml" target_datatype="sdf"/>
            <converter file="inchi_to_mol_converter.xml" target_datatype="mol"/>
            <converter file="inchi_to_mol2_converter.xml" target_datatype="mol2"/>
            <converter file="inchi_to_cml_converter.xml" target_datatype="cml"/>
        </datatype>
        <datatype extension="mol" type="galaxy.datatypes.molecules:MOL" display_in_upload="True">
            <converter file="mol_to_smi_converter.xml" target_datatype="smi"/>
            <converter file="mol_to_inchi_converter.xml" target_datatype="inchi"/>
            <converter file="mol_to_mol2_converter.xml" target_datatype="mol2"/>
            <converter file="mol_to_cml_converter.xml" target_datatype="cml"/>
        </datatype>
        <datatype extension="mol2" type="galaxy.datatypes.molecules:MOL2" display_in_upload="False">
            <converter file="mol2_to_smi_converter.xml" target_datatype="smi"/>
            <converter file="mol2_to_sdf_converter.xml" target_datatype="sdf"/>
            <converter file="mol2_to_inchi_converter.xml" target_datatype="inchi"/>
            <converter file="mol2_to_mol_converter.xml" target_datatype="mol"/>
            <converter file="mol2_to_cml_converter.xml" target_datatype="cml"/>
        </datatype>
        <datatype extension="cml" type="galaxy.datatypes.molecules:CML" display_in_upload="True">
            <converter file="cml_to_smi_converter.xml" target_datatype="smi"/>
            <converter file="cml_to_inchi_converter.xml" target_datatype="inchi"/>
            <converter file="cml_to_sdf_converter.xml" target_datatype="sdf"/>
            <converter file="cml_to_mol2_converter.xml" target_datatype="mol2"/>
        </datatype>
        <datatype extension="fps" type="galaxy.datatypes.molecules:FPS" mimetype="text/html" display_in_upload="True" />
        <datatype extension="obfs" type="galaxy.datatypes.molecules:OBFS" mimetype="text/html" display_in_upload="False" />
        <datatype extension="phar" type="galaxy.datatypes.molecules:PHAR" display_in_upload="False" />
        <datatype extension="pdb" type="galaxy.datatypes.molecules:PDB" display_in_upload="True" />
   </registration>
   <sniffers>
        <sniffer type="galaxy.datatypes.molecules:SDF"/>
        <sniffer type="galaxy.datatypes.molecules:PDB"/>
        <sniffer type="galaxy.datatypes.molecules:MOL2"/>
        <sniffer type="galaxy.datatypes.molecules:InChI"/>
        <sniffer type="galaxy.datatypes.molecules:FPS"/>
        <sniffer type="galaxy.datatypes.molecules:CML"/>
        <!-- TODO: see molecules.py <sniffer type="galaxy.datatypes.molecules:SMILES"/>-->
   </sniffers>
</datatypes>