QuacPac
Quality Atomic Charges,
Proton Assignment and Canonicalization
Previous:
3.3 Usage
Up:
QuacPac Quality Atomic Charges,
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4.1 Introduction
4. Molcharge - Partial Charges
Subsections
4.1 Introduction
4.2 Theory
4.2.1 Marsili-Gasteiger Partial Charges
4.2.2 MMFF94 Partial Charges
4.2.3 AM1 Charges
4.2.4 AM1BCC Charges
4.3 Usage
4.3.1 Command Line Interface
4.3.1.1 Command-Line Options
4.3.2 Example executions
QuacPac
Quality Atomic Charges,
Proton Assignment and Canonicalization
Previous:
3.3 Usage
Up:
QuacPac Quality Atomic Charges,
Next:
4.1 Introduction
Documentation released on June 4, 2008.
