|
IMP Reference Guide
develop.169ea894ba,2025/11/01
The Integrative Modeling Platform
|
A class to cluster structures. More...
A class to cluster structures.
Uses scipy's cdist function to compute distance matrices and sklearn's kmeans clustering module.
Definition at line 183 of file pmi/Analysis.py.
Public Member Functions | |
| def | __init__ |
| Constructor. More... | |
| def | do_cluster |
| Run K-means clustering. More... | |
| def | fill |
| Add coordinates for a single model. More... | |
| def IMP.pmi.analysis.Clustering.__init__ | ( | self, | |
rmsd_weights = None |
|||
| ) |
Constructor.
| rmsd_weights | Flat list of weights for each particle (if they're coarse) |
Definition at line 188 of file pmi/Analysis.py.
| def IMP.pmi.analysis.Clustering.do_cluster | ( | self, | |
| number_of_clusters, | |||
seed = None |
|||
| ) |
Run K-means clustering.
| number_of_clusters | Num means |
| seed | the random seed |
Definition at line 252 of file pmi/Analysis.py.
| def IMP.pmi.analysis.Clustering.fill | ( | self, | |
| frame, | |||
| Coords | |||
| ) |
Add coordinates for a single model.
Definition at line 209 of file pmi/Analysis.py.