Subsections


relax_disp.cpmgfit_execute

Image relax_disp Image applications-education

Synopsis

Optimisation of the CPMG data using Art Palmer's CPMGFit program.

Defaults

relax_disp.cpmgfit_execute(dir=None, force=False, binary=`cpmgfit')

Keyword arguments

dir: The directory containing all of the CPMGFit input files. If not given, this defaults to the model name in lower case.

force: A flag which if set to True will cause the results files to be overwritten if they already exist.

binary: The name of the executable CPMGFit program file.

Description

CPMGFit will be executed once per spin as:

[numbers=none]
$ cpmgfit -grid -xmgr -f dir/spin_x.in | tee dir/spin_x.out

where x is replaced by each spin ID string. If you would like to use a different CPMGFit executable file, change the binary name to the appropriate file name. If the file is not located within the environment's path, be sure to include the full path in front of the binary file name so it can be found.


The relax user manual (PDF), created 2016-10-28.