Python package omolab-conf-analysis
Uses PCA and K-means clustering to separate conformational ensembles. (xyz-files only)
Summary
| Count | 8 occurrences |
|---|---|
| State | Dead |
| Last occurred | |
| Habitening next | |
| Age | |
| Average | |
| Honeymoon | |
| Trend | None |
| In degree | 2 |
| Out degree | 0 |
| External links |