Analyzing AutoStructure Output Directories

From NESG Wiki
Revision as of 15:35, 8 November 2009 by Jma (talk | contribs) (Created page with '== '''Introduction''' == In this section we describe how to analyze AutoStructure results using the graphical user interface (GUI). == '''Methods''' == The results of each Aut…')
(diff) ← Older revision | Latest revision (diff) | Newer revision → (diff)
Jump to navigation Jump to search

Introduction

In this section we describe how to analyze AutoStructure results using the graphical user interface (GUI).

Methods

The results of each AutoStructure cycle are nicely collected in directories within the parent output directory specified by the user in the structure calculation command

(see Figure 1). 


One can access the entire output directory using the AutoStructrue GUI, under the AutoStructure pull-down menu -> Open AS OuputDir.