Utility Floes
- Introduction
- Tutorials
- How To Guides
- Utility Floes - Documentation
- Build Sidechains
- Calculate Dipole Moment
- Cap Chain Breaks
- DU to Mol
- DU to PDB
- Dataset Append – Generating SMILES Field
- Dataset Deduplication – Based on Molecule, String, Integer, or Float Field
- Dataset Deduplication – Merge
- Dataset Filtering – Create Custom Filter
- Dataset Filtering – Custom or Built-in Filter Types
- Dataset Manipulation – Add Molecule Title Field
- Dataset Manipulation – Add Title to Molecule Field
- Dataset Manipulation – Concatenation
- Dataset Manipulation – Field Rename
- Dataset Manipulation – Field Type Conversion
- Dataset Subsetting – Random Splitting Or Selection
- Dataset Subsetting Based on Dataset, Numerical, String, or Regex Field
- Dataset Subsetting Based on String Keys
- Extract Biological Units
- Generate 2D Similarity Matrix
- Generate 3D Similarity Matrix
- Generate Fingerprints
- Generate User-Defined Fingerprints
- Generate and Deduplicate SMILES for One or More Datasets
- Minimize Design Unit
- Mutate Residue(s)
- OMEGA - 3D Conformer Ensemble Generation
- OMEGA - Generate a Single 3D Conformer
- Protein Loop Modeling or Re-modeling
- Protonate DU and structures
- QUACPAC - Partial Charges
- ROCS, FastROCS - Import Shape Query to Record
- Receptor In DU
- Residue State Changer
- Rotamers of a Residue
- SPRUCE - Import Prepared PDB Files
- SPRUCE - Protein Preparation
- Subset Design Unit
- Subset Design Unit Within
- Subset Design Unit to Smallest Binding Unit
- Substructure Search - Small Scale Substructure Matching
- Superpose DUs
- Swap Metal(s)
- Update DU Content
- Utility Floes Release Notes
- Historical Release Notes