Getting Started
OEToolkits 2020.2
Toolkit API
Release Cycle
OEChem Toolkit
OEDepict Toolkit
OEDocking Toolkit
FastROCS Toolkit
OEFF Toolkit
Grapheme Toolkit
GraphSim Toolkit
Lexichem Toolkit
OEMedChem Toolkit
MolProp Toolkit
Omega Toolkit
Quacpac Toolkit
Shape Toolkit
Spicoli Toolkit
Spruce Toolkit
Szmap Toolkit
Introduction
Theory
Examples
API
Release Notes
Release Notes
Szmap TK 1.6.1
Szmap TK 1.6.0
Szmap TK 1.4.6
Szmap TK 1.4.5
Szmap TK 1.4.4
Szmap TK 1.4.3
Szmap TK 1.4.2
Szmap TK 1.4.1
Szmap TK 1.4.0
Szmap TK 1.3.7
Szmap TK 1.3.6
Szmap TK 1.3.5
Szmap TK 1.3.4
Szmap TK 1.3.3
Szmap TK 1.3.2
Szmap TK 1.3.1
Szmap TK 1.3.0
Bibliography
Bibliography
Indices and Tables
Szybki Toolkit
Zap Toolkit
Toolkits--python
Docs
»
Szmap Toolkit 1.6.1.0
»
Release Notes
»
Szmap TK 1.3.0
Szmap TK 1.3.0
¶
First release of
Szmap
toolkit.
Features
¶
Calculates solvent energies and probabilities at arbitrary points in space.
Provides access to probe geometry for output and display.