Preferred Name |
Essential dynamics |
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Synonyms |
Principal modes ED PCA |
|
Definitions |
Compute Essential Dynamics (ED) on a simulation trajectory: an analysis of molecule dynamics using PCA (Principal Component Analysis) applied to the atomic positional fluctuations. Principal Component Analysis (PCA) is a multivariate statistical analysis to obtain collective variables and reduce the dimensionality of the system. |
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ID |
http://edamontology.org/operation_3891 |
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comment |
Principal Component Analysis (PCA) is a multivariate statistical analysis to obtain collective variables and reduce the dimensionality of the system. |
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Created in |
1.22 |
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hasDefinition |
Compute Essential Dynamics (ED) on a simulation trajectory: an analysis of molecule dynamics using PCA (Principal Component Analysis) applied to the atomic positional fluctuations. |
|
hasExactSynonym |
Principal modes ED PCA |
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inSubset | ||
label |
Essential dynamics |
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prefixIRI |
operation_3891 |
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prefLabel |
Essential dynamics |
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subClassOf |
Delete | Mapping To | Ontology | Source |
---|---|---|---|
http://edamontology.org/operation_3891 | ITO | SAME_URI | |
http://edamontology.org/operation_3891 | ITO | LOOM |