OpenEye Classic Floes Documentation¶
Documentation for Classic Floes provided by OpenEye. These Floes replicate behavior and functionality of OpenEye applications.
Contents:
- Tutorials
- How To Guides
- Frequently Asked Questions
- OpenEye Classic Floes - Documentation
- BROOD - 3D Fragment Replacement
- BROOD - 3D Fragment Similarity
- BROOD - DB File to Collection
- BROOD - Fragments Conformer Generation
- BROOD - Query Builder
- CHOMP - Generate BROOD Fragment Database
- Calculate Atropisomerism
- Calculate Dipole Moment
- EON - Shape and Electrostatic Similarity Alignment
- Filter Docking Hits by Interactions
- Fingerprint Search - Small Scale 2D Similarity
- FreeForm - Aqueous Ligand Configurational Free Energies with SZYBKI
- FreeForm - Bound Ligand Configurational Free Energies with SZYBKI
- FreeForm - Ligand Solvation Energies with SZYBKI
- GamePlan - Ligand Design with Water Analysis using SZMAP
- OEDocking - Dock into an Active Site for Virtual Screening
- OMEGA - 3D Conformer Ensemble Generation
- OMEGA - Conformer Generation for Macrocycles
- OMEGA - Generate a Single 3D Conformer
- POSIT - Ligand Guided Small Molecule Posing
- QUACPAC - Partial Charges
- QUACPAC - Tautomer Enumeration and Analysis
- ROCS - Shape Based Alignment for Virtual Screening
- ROCS Query Model Builder
- ROCS, FastROCS - Import Shape Query to Record
- Receptor In DU
- SPRUCE - Import Prepared PDB Files
- SPRUCE - OEDesignUnit Format Type Updater
- SPRUCE - Protein Preparation
- SZYBKI - Ligand Minimization in a Flexible Active Site
- SZYBKI - Ligand Minimization in a Rigid Active Site
- SZYBKI - Single point MMPBSA
- SZYBKI - Small Molecule Hydrogen-Only Minimization
- SZYBKI - Small Molecule Minimization
- Substructure Search - Small Scale Substructure Matching
- Release Notes
- v0.14.0 July 2024
- v0.13.1 February 2024
- v0.12.1 September 2023
- v0.12.0 July 2023
- v0.11.2 December 2022
- v0.10.1 September 2022
- v0.10.0 July 2022
- v0.9.0 December 2021
- v0.8.3 June 2021
- v0.7.1 November 2020
- v0.6.2 August 2020
- v0.6.1 August 2020
- v0.5.2 April 2020
- v0.4.0 November 2019
- v0.3.6 September 2019
- v0.3.3 July 2019
- v0.3.1 June 2019
- v0.2.5 March 2019
- v0.2.2 September 2018