Getting Started
Best Practices for Java
OEToolkits 2020.2
Toolkit API
Release Cycle
OEChem Toolkit
OEDepict Toolkit
OEDocking Toolkit
FastROCS Toolkit
Grapheme Toolkit
GraphSim Toolkit
Lexichem Toolkit
OEMedChem Toolkit
MolProp Toolkit
Omega Toolkit
Theory
GPU-Omega
Examples
API
Release Notes
Release Notes
Omega TK 4.1.0
Omega TK 4.0.0.6
Omega TK 4.0.0
Omega TK 2.9.1
Omega TK 2.9.0
Omega TK 2.8.0
Omega TK 2.7.0
Omega TK 2.6.7
Omega TK 2.6.6
Omega TK 2.6.5
Omega TK 2.6.4
Omega TK 2.6.3
Omega TK 2.6.2
Omega TK 2.6.1
Omega TK 2.6.0
Omega TK 2.5.7
Omega TK 2.5.6
Omega TK 2.5.5
Omega TK 2.5.4
Omega TK 2.5.3
Omega TK 2.5.2
Omega TK 2.5.1
Omega TK 2.5.0
Omega TK 2.4.6
Omega TK 2.4.5
Omega TK 2.4.4
Omega TK 2.4.1
Omega TK 2.4.0
Omega TK 2.3.3
Omega TK 2.3.2
Omega TK 2.3.1
Omega TK 2.3.0
Omega TK 2.2.2
Omega TK 2.2.1
Bibliography
Bibliography
Indices and Tables
Quacpac Toolkit
Shape Toolkit
Spicoli Toolkit
Szmap Toolkit
Szybki Toolkit
Zap Toolkit
Toolkits--java
Docs
»
Omega Toolkit 4.1.0.2
»
Release Notes
»
Omega TK 2.3.2
Omega TK 2.3.2
¶
Bug fixes
¶
Fixed a bug where molecules containing boron or selenium could cause a crash. These molecules now are written to the
‘.fail’
file due to missing force field parameters and the program will proceed to the next molecule.