Getting Started
OEToolkits 2020.2
Toolkit API
Release Cycle
OEChem Toolkit
OEDepict Toolkit
OEDocking Toolkit
Grapheme Toolkit
GraphSim Toolkit
Lexichem Toolkit
OEMedChem Toolkit
MolProp Toolkit
Omega Toolkit
Quacpac Toolkit
Theory
Examples
API
Preliminary API
Release Notes
Release Notes
Quacpac TK 2.1.1
Quacpac TK 2.1.0
Quacpac TK 2.0.2
Quacpac TK 2.0.1
Quacpac TK 2.0.0
Quacpac TK 1.9.3
Quacpac TK 1.9.2
Quacpac TK 1.9.1
Quacpac TK 1.9.0
Quacpac TK 1.8.6
Quacpac TK 1.8.5
Quacpac TK 1.8.4
Quacpac TK 1.8.3
Quacpac TK 1.8.2
Quacpac TK 1.8.1
Quacpac TK 1.8.0
Quacpac TK 1.7.2
Quacpac TK 1.7.1
Quacpac TK 1.7.0
Quacpac TK 1.6.4
Quacpac TK 1.6.2
Quacpac TK 1.6.1
Quacpac TK 1.6.0
Quacpac TK 1.5.2
Quacpac TK 1.5.1
Quacpac TK 1.5.0
Quacpac TK 1.4.1
Quacpac TK 1.4.0
Quacpac TK 1.3.1
Quacpac TK 1.3.0
Quacpac TK 1.1.0
Bibliography
Bibliography
Indices and Tables
Shape Toolkit
Spicoli Toolkit
Szmap Toolkit
Szybki Toolkit
Zap Toolkit
Toolkits--csharp
Docs
»
Quacpac Toolkit 2.1.1.0
»
Release Notes
»
Quacpac TK 1.7.2
Quacpac TK 1.7.2
¶
New features
¶
Minor bug fixes
¶
Calling
OEGetChargeTypeName
with the constant
OECharges.Default
, now returns the name of the default charge method,
OECharges.MMFF94
.
Documentation fixes
¶