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4. AQUA outputs and analysis tools

Contents of this chapter:-


AQUA output files

The root names of the output files produced by AQUA are defined by the current
project name.

The names of the output files have the following extensions, each indicating the type of data the file contains:

    summary:     .nsm (noe), .hsm (hb), .ssm (ss), .dsm (dis)
    violations:  .nrv (noe), .hrv (hb), .srv (ss), .drv (dis)
    counts:      .nrc (noe), .hrc (hb), .src (ss), .drc (dis)

where

These files are ASCII text files and can be printed out or read with any text editor.

The script qdbext can be used to extract data from the .?rv (violations) and .?rc (counts) files on a keyword basis (see Using qdbext and The DBAS output file format).


Summarising the output with qsumm

Additionally, you can generate a new summary file using the qsumm script. This gives a longer list of largest violations (by default only the largest three are shown for each structure). To do this, give the command:

Example

The command might look like: See
Using qsumm for some more details.


Inspecting the output with qanal

Another script for summarizing the results of Aqua calculations is qanal [written by
Kris Boulez]. This script can only be used if Perl5 is installed on your computer.
See Using qanal for some more details.


AQUA errors and warning messages

The log-file aqpc.log lists various errors and warnings from the program.

These can be categorized as follows:-


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