relax 4.0.3

Official relax releases
	relax version 4.0.3
← relax 4.0.2
Keywords	Fast superimposition, Google Cloud deployment scripts, OpenMPI, per-atom RMSDs
Release type	Minor feature and bugfix
Release date	28 October 2016
	The relax 4.0.3 user manual

Description

This is a minor feature and bugfix release. The structure.rmsd user function can now calculate per-atom RMSDs, structure superimposition is now orders of magnitude faster, the relax deployment scripts have been improved and expanded to cover other GNU/Linux systems, OpenMPI system testing scripts have been added, and the relax information printout has been improved. Bugfixes include that the structure.rmsd user function now correctly calculates the RMSD value, and the inversion recovery relaxation curve-fitting equations are now correct.

Download

The new relax versions can be downloaded from http://www.nmr-relax.com/download.html. If binary distributions are not yet available for your platform and you manage to compile the binary modules, please consider contributing these to the relax project (described in section 3.6 of the relax manual, http://www.nmr-relax.com/manual/relax_distribution_archives.html).

CHANGES file

Version 4.0.3
(28 October 2016, from /trunk)
http://svn.gna.org/svn/relax/tags/4.0.3

Features

Per-atom RMSD calculation by the structure.rmsd user function.
Much faster superimposition of structures.
More relax deployment scripts for Google Cloud for different GNU/Linux distributions.
Addition of OpenMPI testing scripts.
Improved relax information printout.

Changes

Bugfixes

Links

For reference, the announcement for this release can also be found at following links:

Softpedia also has information about the newest relax releases:

Announcements

If you would like to receive announcements about new relax versions, please subscribe to the relax announcement mailing list. This list only receives ~10 emails per year. It is archived at the SourceForge archives and in The Mail Archive.