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Commit 969116b4 authored by Javier González-Delgado's avatar Javier González-Delgado
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# WARIO: Weighted fAmilies of contact maps to chaRacterize conformational ensembles of (highly-)flexIble prOteins # WARIO: Weighted fAmilies of contact maps to chaRacterize conformatIonal ensembles of (highly-)flexible prOteins
Welcome to WARIO, an ensemble characterization tool. WARIO represents an ensemble as a weighted family of contact maps. Contact is redefined by a continuous function taking values in $[0,1]$ that incorporates the relative orientation of the interacting residues as well as the sequence information. Then, the featured data is embedded into a 10-dimensional [UMAP](https://umap-learn.readthedocs.io/en/latest/index.html) space and clustered using the [HDBSCAN](https://hdbscan.readthedocs.io/en/latest/#) algorithm. Finally, the average values of the contact function across each cluster conformation are represented as cluster-specific contact maps. The maps are assigned with a weight given by the cluster occupancy. Welcome to WARIO, an ensemble characterization tool. WARIO represents an ensemble as a weighted family of contact maps. Contact is redefined by a continuous function taking values in $[0,1]$ that incorporates the relative orientation of the interacting residues as well as the sequence information. Then, the featured data is embedded into a 10-dimensional [UMAP](https://umap-learn.readthedocs.io/en/latest/index.html) space and clustered using the [HDBSCAN](https://hdbscan.readthedocs.io/en/latest/#) algorithm. Finally, the average values of the contact function across each cluster conformation are represented as cluster-specific contact maps. The maps are assigned with a weight given by the cluster occupancy.
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