Mercurial > repos > bgruening > chemical_datatypes

diff datatypes_conf.xml @ 1:dbf93116a809 draft

Find changesets by keywords (author, files, the commit message), revision number or hash, or revset expression.
Uploaded
author bgruening
date Tue, 26 Mar 2013 13:00:19 -0400
parents
children
line wrap: on
line diff
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/datatypes_conf.xml	Tue Mar 26 13:00:19 2013 -0400
@@ -0,0 +1,50 @@
+<?xml version="1.0"?>
+  <datatypes>
+   <datatype_files>
+     <datatype_file name="molecules.py"/>
+   </datatype_files>
+   <registration>
+        <!--Cheminformatics Datatypes -->
+        <datatype extension="mol" type="galaxy.datatypes.molecules:MOL" display_in_upload="True">
+            <converter file="mol_to_inchi_converter.xml" target_datatype="inchi"/>
+            <converter file="mol_to_mol2_converter.xml" target_datatype="mol2"/>
+            <converter file="mol_to_smi_converter.xml" target_datatype="smi"/>
+        </datatype>
+        <datatype extension="mol2" type="galaxy.datatypes.molecules:MOL2" display_in_upload="False">
+            <converter file="mol2_to_inchi_converter.xml" target_datatype="inchi"/>
+            <converter file="mol2_to_mol_converter.xml" target_datatype="mol"/>
+            <converter file="mol2_to_smi_converter.xml" target_datatype="smi"/>
+            <converter file="mol2_to_sdf_converter.xml" target_datatype="sdf"/>
+        </datatype>
+        <datatype extension="inchi" type="galaxy.datatypes.molecules:InChI" display_in_upload="True">
+            <converter file="inchi_to_mol_converter.xml" target_datatype="mol"/>
+            <converter file="inchi_to_mol2_converter.xml" target_datatype="mol2"/>
+            <converter file="inchi_to_smi_converter.xml" target_datatype="smi"/>
+            <converter file="inchi_to_sdf_converter.xml" target_datatype="sdf"/>
+        </datatype>
+        <datatype extension="smi" type="galaxy.datatypes.molecules:SMILES" display_in_upload="True">
+            <converter file="smi_to_mol_converter.xml" target_datatype="mol"/>
+            <converter file="smi_to_mol2_converter.xml" target_datatype="mol2"/>
+            <converter file="smi_to_inchi_converter.xml" target_datatype="inchi"/>
+            <converter file="smi_to_sdf_converter.xml" target_datatype="sdf"/>
+            <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_inchi_converter.xml" target_datatype="inchi"/>
+            <converter file="sdf_to_smi_converter.xml" target_datatype="smi"/>
+            <converter file="sdf_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"/>
+        <!-- TODO: see molecules.py <sniffer type="galaxy.datatypes.molecules:SMILES"/>-->
+   </sniffers>
+</datatypes>