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.