add selstr and box selection to watfinder #1919
Merged
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New function selectSurroundingsBox selects the surroundings of a selection in a bounding box with the minimum and maximum x, y and z values, and an optional padding. There is an option to just return the x, y, z selection string.
calcWaterBridges and calcWaterBridgesTrajectory have new kwargs selstr and expand_selection to take the output of this function or any other user selstr.
By default, expand_selection is False to not have unexpected results for other selections. If set to True, then it uses the new function after applying the initial selstr.