*************************** Collection of Utility Tools *************************** The module `tools` contains a collection of convenience functions and will be loaded when doing:: from chemsh import * .. py:module:: tools .. py:function:: takeSnapshots(fragObj[, dcd='_namd.dcd', xst='_namd.xst', pbc_wrap='non-solvent', nsnapshots=20, ff='charmm']) Parameters: * fragObj: A :py:class:`Fragment` instance (object), typically created from a PSF or PDB file for biomolecular dynamics simulations * dcd: :py:attr:`DCD ` filename * xst: :py:attr:`XST ` filename * pbc_wrap: Common names for selecting what to PBC wrap around. Currently supported names include: ``'non-solvent'`` (default, where solvent also includes ions), ``'protein'``, ``'water'``, and ``'ions'``. * nsnapshots: Number of snapshots to take * ff: Forcefield scheme name