debian/upstream/edam_

 ---
 ontology: EDAM (1.16)
 topic:
-  - Sequence analysis
+  - Cheminformatics
 scopes:
   - name: summary
     function:
-      - Multiple sequence alignment
+      - Visualisation
+      - Isotopic distributions calculation
+      - Comparison
+      - Conversion
     input:
-      - data: Sequence
+      - data: Data
         formats:
-          - EMBL format
-          - FASTA
-          - GCG
-          - GenBank format
-          - nbrf/pir
-          - PHYLIP format
-          - UniProtKB format
-      - data: Gene tree
+          - Molfile
+          - SMILES
+          - SDF
+          - XYZ
     output:
-      - data: Alignment
+      - data: Data
         formats:
-          - FASTA-aln
-          - PHYLIP format
-          - selex
-          - Stockholm format
-          - Vienna local RNA secondary structure format
-      - data: Phylogenetic tree
-        formats: [Phylip tree format]
+          - SDF
+          - Molfile
+          - SDF
+          - XYZ
+          - InChI
+          - InChIKey
+      - data: QSAR descriptor