🆕 Peptide Informatics

This chapter collects recipes that address a variety of peptide informatics tasks. The examples rely on APIs that will be introduced in an upcoming OpenEye TK release.

• 🆕 Theory
  • Monomers
  • OEChem TK Built-in Monomer Sets
  • HELM
  • HELM Parsing
  • Helm Generation
  • Peptide Cyclization and Cross-links

Monomer Handling

• 🆕 Generating Custom Monomer Set
• 🆕 Convert Monomers to OpenEye JSON Format

Monomer Search

• 🆕 Substructure Search in Monomer Set
• 🆕 Similarity Search in Monomer Set

Depiction

• 🆕 Depict Monomer

• 🆕 Depict Peptide

Conversion

• 🆕 Convert HELM to SMILES
• 🆕 Convert SMILES to HELM
• 🆕 Convert HELM File to Molecule File
• 🆕 Convert Molecule File to HELM File

Utilities

• 🆕 Print Monomer Set Information to Console

• 🆕 Plot Similarities in a Monomer Set

• 🆕 Print Monomer Sequence of HELMS to Console

• 🆕 Convert Peptides File to XLSX (Excel) with Monomer Sequence

• 🆕 Generate HELM in Interactive Web Application

• 🆕 Generate Random Peptides

• 🆕 Mutate Peptide