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Options are operations that allow to transform the system, e.g. rotate it, add, remove or displace atoms, etc.

Several options can be called in a single command-line. They are applied to the system consecutively, in the order in which they are called. Options can appear anywhere in the command-line (i.e. before or after the input file or the formats to output), however when an option is invoked it must be followed by its parameters in the correct order.

Options apply to all files converted in one run. For instance, if the mode 'list' is used, options apply to all files in the list. Please refer to the page describing each mode for more details about how they deal with options.

A special case is the option -select, which can be used to restrict the following options to only some atoms. Please read the corresponding page to know more.

In options using crystallographic directions, Miller indices can be given as a contiguous string, or as values separated with underscores. Square brackets are optional. For instance the direction [110] can be specified as "1-10", "[1-10]", "1_-1_0" or "[1_-1_0]" (without quotation marks). Note that the indices must never be separated by blank spaces.

In some options that require a position, it is possible to provide a cartesian position in angströms, or a relative position thanks to the keyword BOX. See this page to know more.

Below the available options are listed in alphabetical order.

List of options

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