Shortcnstables and Longcnstables

Copyright 2001 Stephen Graham

Synopsis

Extracts tables of R-values from a CNS output.  Small bash scripts with some awk thrown in.  Works by matching patterns in the output produced by CNS.  Should run on any computer with bash and awk.  Note that as it uses bash, it will only run on the bears.  Note also that shortcnstables should work on any CNS output, but longcnstables will (probably! someone test and get back to me on this?) work only on CNS output where the log_level is quiet (default, as opposed to verbose logging).

The difference between shortcnstables and longcnstables is that shortcnstables prints only a summary of R-values pre and post operation (operations being energy minimisation in minimise.inp, for example).  longcnstables prints the R-values for each resolution shell as well as the averages.

Usage

$ shortcnstables <file_1.log> [<file_2.log> ...]
or
$ longcnstables <file_1.log> [<file_2.log> ...]

where <file_x.log> is a file containing CNS output (ie produced by redirection of CNS output to a log file).  Any number of files may be processed.  Output is directed to stdout.  I reccomend using in conjunction with mpage and redirecting output to lpr, to produce nice short tables for sticking into lab books.  Example:

$ shortcnstables minimise.log bindividual.log | mpage -o -bA4 -4 | lpr

Download Shortcnstables

Latest version last modified 17/7/01 and available here.

Download Longcnstables

Latest version last modified 17/7/01 and available here.