Subsections


bmrb.software_select

Image bmrb Image utilities-terminal

Synopsis

Select the software used in the analysis.

Defaults

bmrb.software_select(name=None, version=None)

Keyword arguments

name: The name of the software program utilised.

version: The version of the software, if applicable.

Description

Rather than specifying all the information directly, this user function allows the software packaged used in the analysis to be selected by name. The programs currently supported are:

`NMRPipe' -
http://spin.niddk.nih.gov/NMRPipe/
`Sparky' -
http://www.cgl.ucsf.edu/home/sparky/

More can be added if all relevant information (program name, description, website, original citation, purpose, etc.) is emailed to relax-users@gna.org.

Note that relax is automatically added to the BMRB file.

Prompt examples

For BMRB deposition, to say that both NMRPipe and Sparky were used prior to relax, type:

[numbers=none]
relax> bmrb.software_select('NMRPipe')

[numbers=none]
relax> bmrb.software_select('Sparky', version='3.113')


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