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wLake is a tool which allows to identify clusters of a structural
water molecules in given superimposed 3D structures.
Put your coordinates in PDB format into the text area. Select a distance threshold. Two water molecules from different structures will be concidered as located in the same space point if the distance between centers of oxygen atoms is less than this threshold. Select a minimal cluster size (from 2 to number of superimposed structures) and press Submit button.
For detatils of the algorithm click here.
In citing the wLake please refer to Aksianov et al.J. Bioinform. Comput. Biol.2008. 6(4). pp. 775-788.
To contact the author use following e-mail: firstname.lastname@example.org
To download an offline version of wLake or wLake source code click here.