Randomly rotate water molecules to create disorder

This interface allows to search for, and move randomly, atom(s) or group of atom(s), selection target(s) appearing in the table bellow. Also note that, quite conveniently, "All selected atoms" are by default targets of the action(s) to be performed.
To work on water molecules set the search parameters as follow:

  • "For": use "Group of atomes: all" to work on group of atoms, and not atom(s) individually, and to display a single interactor for all object(s) instead of a list detailed list.

  • "Filter": use "Partial coordination", to display a list of partial coordination(s) matching previously set criteria.

Then selected to "Rotate" all "O[H2]" coordination spheres, that is all water molecules, set a maximum Mean Square Displacement by adjusting the corresponding parameter, and if required specify how many times the process is to be repeated.
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