Visualization and processing of computed solid-state NMR parameters: MagresView and MagresPython
We introduce two open source tools to aid the processing and visualisation of ab-initio computed solid-state NMR parameters. The Magres file format for computed NMR parameters (as implemented in CASTEP v8.0 and QuantumEspresso v5.0.0) is implemented. MagresView is built upon the widely used Jmol cry...
| Main Authors: | , , , , , , , |
|---|---|
| Format: | Journal article |
| Jezik: | English |
| Izdano: |
Elsevier
2016
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