add .shed.yml files

chemicaltoolbox/chemfp/.shed.yml

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+categories:
+- Computational chemistry
+description: Chemfp tools for working with cheminformatics fingerprints in the FPS format
+long_description: |
+    Chemfp is a set of command-line tools and a Python library for fingerprint generation
+    and high-performance similarity search. Chemfp supports the FPS exchange format for fingerprint data,
+    so if want something beyond the OpenEye, Open Babel and RDKit fingerprints that chemfp
+    supports then you can write your own FPS files and still use the fast Tanimoto search tool.
+    It also supports the FPB binary format for fast loading, which is handy fast web server reloads and subsecond command-line searches.
+
+    http://chemfp.com/
+name: chemfp
+owner: bgruening
+remote_repository_url: https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/chemfp
+type: unrestricted

chemicaltoolbox/confab/.shed.yml

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+categories:
+- Computational chemistry
+description: Systematic conformation generator
+long_description: |
+    Confab is an open source conformation generator whose goal is the systematic coverage of conformational space.
+name: confab
+owner: bgruening
+remote_repository_url: https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/confab
+type: unrestricted

chemicaltoolbox/osra/.shed.yml

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+categories:
+- Computational chemistry
+description: OSRA - Optical Structure Recognition Application
+long_description: |
+    OSRA is a utility designed to convert graphical representations of chemical structures,
+    as they appear in journal articles, patent documents, textbooks, trade magazines etc., into SMILES.
+name: osra
+owner: bgruening
+remote_repository_url: https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/osra
+type: unrestricted