KegDraw 0.1.14 beta

KegDraw 0.1.14 beta visualizes compound and glycan structures to support glycome informatics analyses within the KEGG knowledgebase.

Key Features:

• Java implementation: Implemented in Java for programmatic execution and integration with KEGG resources.
• Structure drawing: Generates representations of complex carbohydrate (glycan) and chemical compound structures.
• KEGG and GLYCAN Database integration: Queries and retrieves compound and glycan entries from KEGG and the GLYCAN Database.
• KEGG Carbohydrate Matcher (KCaM) integration: Leverages KCaM for glycan search and alignment functionality.
• Composite Structure Map (CSM) support: Maps and displays structural variations of carbohydrates and links to glycosyltransferase expression data via CSM.
• Graph-based representation: Represents pathways, chemical compounds, and carbohydrate structures as graphs to model relationships and interactions.
• Pathway mapping: Associates carbohydrate structures with glycan biosynthesis and metabolism pathways in KEGG.

Scientific Applications:

• Glycan structure visualization: Visualizes detailed glycan and compound structures for structural analysis.
• Database querying: Retrieves specific compound and glycan information from KEGG and the GLYCAN Database for downstream analyses.
• Glycan search and alignment: Performs glycan search and alignment using KEGG Carbohydrate Matcher (KCaM) to compare structures.
• Pathway integration: Maps glycan structures onto KEGG glycan biosynthesis and metabolism pathways for functional interpretation.
• Expression linking via CSM: Relates structural variants to glycosyltransferase expression data using the Composite Structure Map.

Methodology:

Implemented in Java; represents KEGG objects as graphs; integrates GLYCAN Database, KEGG Carbohydrate Matcher (KCaM) for search and alignment, and Composite Structure Map (CSM) for mapping structural variations and glycosyltransferase expression.