Sentence examples for clusters of conformers from inspiring English sources

Because the 3-D similarity comparison between compounds requires conformers of the compounds, the 3-D clustering algorithm was also applied to the conformers, resulting in clusters of conformers.

This analysis identified six clusters of conformers.

Each cluster of conformers accounted for multiple intermolecular cross-links (Table 1).

The hierarchical clustering-II method, applied on clusters of conformations previously obtained, detected one group of conformers in nmr_xray and NCS_nmr_xray, and two groups in NCS_nmr.

The difference clusters of CXMS conformers are labeled.

Analysis scripts are provided to identify representative structures from clusters of similar conformers, which may be further refined by subsequent geometry optimization.

Various clustering techniques, measurements, and weighting parameters are supported that describe how the results from the GA search will be clustered into families of conformers.

The distribution of the cluster sizes in terms of the number of conformers per cluster is displayed in Figure 3.

Figure 3 Distribution of 3-D cluster sizes in terms of the number of "conformers" per cluster.

There was no apparent correlation between the count of conformers clustered and the shape diversity found.

The number of conformers in Clusters 1 6 is 40, 60, 1800, 60, 20, and 20, respectively.