DP5

Contents:

Usage
Anatomy of a config file
API
- dp5.conformer_search
- dp5.dft
Analysis
DP5 Analysis
DFT Module
NMR Processing

DP5

API
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API

For a narrative description of the automated NMR workflow, see NMR Processing.

`dp5.conformer_search`
`dp5.dft`

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© Copyright 2024, Kristaps Ermanis, Alexander Howarth, Ruslan Kotlyarov, Benji Rowlands, Jonathan Goodman.

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