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Web Utilities

This is a list of a few lightweight Rowan tools for common tasks.

Potential-Energy-Surface Graph Builder

Potential-Energy-Surface Graph Builder

Build potential-energy-surface graphs from Rowan calculations and transition-state calculations to calculate and display barrier heights and thermochemistry.

Energy Conversion

Energy Conversion

Convert between Hartree, eV, kcal/mol, kJ/mol, and other common energy units used in computational chemistry.

Structure Editor

Structure Editor

Edit molecules in 2D or 3D, then export 2D structures as SMILES or 3D structures as SDF, MOL, MOL2, or XYZ files.

Protein Editor

Protein Editor

Edit protein structures in 3D and export cleaned-up structures as PDB files for downstream modeling.

Protein–Ligand Interaction Diagram

Protein–Ligand Interaction Diagram

Create protein–ligand interaction diagrams with salt bridges, hydrogen bonds, hydrophobic contacts, and a 2D ligand view.

Potential-Energy-Surface Graph Builder

Potential-Energy-Surface Graph Builder

Build potential-energy-surface graphs from Rowan calculations and transition-state calculations to calculate and display barrier heights and thermochemistry.

Energy Conversion

Energy Conversion

Convert between Hartree, eV, kcal/mol, kJ/mol, and other common energy units used in computational chemistry.

Structure Editor

Structure Editor

Edit molecules in 2D or 3D, then export 2D structures as SMILES or 3D structures as SDF, MOL, MOL2, or XYZ files.

Protein Editor

Protein Editor

Edit protein structures in 3D and export cleaned-up structures as PDB files for downstream modeling.

Protein–Ligand Interaction Diagram

Protein–Ligand Interaction Diagram

Create protein–ligand interaction diagrams with salt bridges, hydrogen bonds, hydrophobic contacts, and a 2D ligand view.

Potential-Energy-Surface Graph Builder

Potential-Energy-Surface Graph Builder

Build potential-energy-surface graphs from Rowan calculations and transition-state calculations to calculate and display barrier heights and thermochemistry.

Energy Conversion

Energy Conversion

Convert between Hartree, eV, kcal/mol, kJ/mol, and other common energy units used in computational chemistry.

Structure Editor

Structure Editor

Edit molecules in 2D or 3D, then export 2D structures as SMILES or 3D structures as SDF, MOL, MOL2, or XYZ files.

Protein Editor

Protein Editor

Edit protein structures in 3D and export cleaned-up structures as PDB files for downstream modeling.

Protein–Ligand Interaction Diagram

Protein–Ligand Interaction Diagram

Create protein–ligand interaction diagrams with salt bridges, hydrogen bonds, hydrophobic contacts, and a 2D ligand view.