Flare™ licensing options

 

Flare

Flare Viewer

Flare for Academics

Commercial organizations Yes Yes  
Academics Yes Flare for Academics recommended Yes

Protein-centric operations

 

 

 

Dedicated protein table enabling rapid inspection of specific chains or residues Yes Yes Yes
Protein sequence alignment and superposition Yes Yes Yes
Protein preparation Yes   Yes
Perform single point mutation for your proteins Yes   Yes
Refine the structure of the protein active site by flipping and changing the protonation/tautomeric state of relevant residues Yes Yes Yes
Protein minimization using the XED force field Yes   Yes
Calculate and color protein molecular surfaces by atom, secondary structure and  hydrophobicity Yes Yes Yes
Calculate and color protein molecular surfaces by electrostatic potential, Electrostatic ComplementarityTM Yes    
Display protein interaction potentials for the protein active site Yes    
Control every protein surface with individual display options in the dedicated protein surfaces table Yes Yes Yes
3D-RISM for water stability and positioning Yes    

Ligand-centric operations

 

 

 

Easy access to all ligand actions in the dedicated ligand tab menu Yes Yes Yes
Dedicated ligand table to store all ligands in your project with full visibility control, sortable on any column Yes Yes Yes
Protein association (every ligand has a parent protein) Yes Yes Yes
Calculated physico-chemical properties for each ligand Yes Yes Yes
Ligand-design in the active site (molecule editor) Yes Yes Yes
Perfect ligand design using ligand and protein electrostatics Yes    
Perfect ligand design using ligand electrostatics Yes Yes Yes
Show Electrostatic Complementarity maps towards the protein of interest Yes    
Fast and interactive activity prediction using Electrostatic Complementarity scores Yes    
Calculate radial plot multi-parametric scores to select the compounds with the best properties Yes Yes Yes
Minimize your ligands in the protein active site Yes   Yes
Quick, easy and accurate docking Yes   Yes
Tackle the flexibility of the protein active site with ensemble docking Yes   Yes
Investigate ligand-protein energetics with WaterSwap Yes    
Filter on numerical values, structure, tags Yes Yes Yes

GUI

 

 

 

Ribbon menu structure for quick identification of commands and controls Yes Yes Yes
Drag and drop ligands between protein and ligand tables Yes Yes Yes
Visualize protein-ligand complexes Yes Yes Yes
Visualize protein-ligand interactions Yes Yes Yes
Focus on active site Yes Yes Yes
Compare protein-ligand complexes Yes Yes Yes
Grid the 3D window by protein and ligand to compare and contrast Yes Yes Yes
Capture 3D view to the storyboard to track and communicate ideas Yes Yes Yes
Summary and detailed logging of calculations and events Yes Yes Yes
Extended picking widget that enables complex queries Yes Yes Yes

Python

 

 

 

Create and automate workflows using the Python API Yes With supported version Yes
Access the RDKit cheminformatics toolkit Yes With supported version Yes
Upgrade Flare with Python modules for graphing, statistics, Jupyter Notebook Yes With supported version Yes
Automate and distribute Flare calculations using pyFlare and Cresset released Python scripts and snippets Yes   Yes
Expand the functionality of the Flare GUI using Cresset released Python extensions Yes With supported version Yes

Remote processing

 

 

 

Cresset Engine Broker Optional – please enquire   Optional – please enquire

Support

 

 

 

Email support Yes Optional – please enquire Limited*

Standard licensing options for Flare™ are detailed below. To discuss your custom licensing requirements, please contact us.

 

* In some countries – please enquire to see if you are eligible for support.