CYANA Macro: calc all

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Parameters

structures=integer
(default: 0)
command=string
(default: anneal)
serial
broadcast

Description

Calculates a group of structures using the given command (with optional parameters) for each individual conformer. If the number of structures n is specified, the calculation will be performed starting from n random start conformers; otherwise the calculation is performed for all selected structures. Structure calculations are performed in parallel, if possible.

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