redchi.cpp File Reference
Detailed Description
reduced chi command line arguments
Reduced chi command line inputs can be given in any order - for additional details, run redchi with the "--help" option.
- -conf/-c file.conf
- configuration file to read in. Defaults to file specified on input, followed by ~/.redchi/redchi.conf, and finally /etc/redchi.conf. One of the three must exist. See below for formatting of this file.
- -libpath/-l /path/to/cif/libs
- library path for CIF library file lookups. Multiple paths can be given (separated by -libpath or -l).
- -mtzin/-m [file1 [file2 [...]]]
- mtz file(s) to read in - can be used instead of entering a mtz file in the input file (see input/output parser commands)
- -pdbin/-p [file1 [file2 [...]]]
- pdb file(s) to read in - can be used instead of entering a pdb file in the input file (see input/output parser commands)
- file1 [file2 [file3 [...]]]
the configuration file follows the format:
[globals]
value=setting1;setting2
currently allowed settings:
- libpath
- sets a list of paths to search for CIF monomers
- libfiles
- sets a list of CIF monomer/files to read in from the libpath
example configuration file:
[globals]
libpath=/data/sware/progs/ccp4-6.0.2/lib/data/monomers;/home/fenn/.redchi/monomers
libfiles=/k/KCX.cif;new_monomers.cif
#include <fcntl.h>
#include <stdio.h>
#include <stdlib.h>
#include <unistd.h>
#include <glib.h>
#include <glib/gstdio.h>
#include <gsl/gsl_ieee_utils.h>
#include "redchi.h"
