CYANA Macro: calc all

From CYANA Wiki
Revision as of 12:26, 29 January 2009 by Admin (talk | contribs) (1 revision)
(diff) ← Older revision | Latest revision (diff) | Newer revision → (diff)
Jump to navigation Jump to search

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.

Retrieved from "https://cyana.org/w/index.php?title=CYANA_Macro:_calc_all&oldid=5574"