3.1.1 release

What's New
1

We’re pleased to be releasing version 3.1.1 of the CcpNmr Analysis Software.

Users of 3.1.0 can upgrade using the normal Update mechanism from within the software. If you are using 3.0.x you will need to do a new download from Software Downloads - CCPN.

This version consolidates lots of bug fixes, small improvements and additions along with some new alpha functionality.

Download – Academic Version
As usual, we have versions for Windows, Mac and Linux available, including for the first time also a Windows11 version.

Tutorials
with example data. The Screening Tutorial and example data have been updated to reflect new features and functionality.

Documentation

Forum
As always, please report any bugs or other issues and questions on our forum

Full List of Changes
(also available from our Changelog):

Added

  • Edit Collections pop-up
  • Double-quantum diagonal and mouse cross-hairs
  • copyPeakAssignments CCPN Macro
  • Reading of complex NmrPipe time domain (unprocessed) data (experimental feature)
  • Ubuntu 22 patches and distribution
  • Windows 11 distribution
  • NEF Tutorials
  • New Chemical Shift Mapping Module (alpha)
  • Relaxation Data Analysis Module (alpha)

Fixed

  • NEF Import with wrongly defined IsotopeCode
  • NEF Import with linked Substances, Samples and Spectra
  • Peak picking on scaled spectra
  • Printing: bug fixes and improvements
  • Several GUI and Core bugs
  • Minor bugs

Updated

  • Tutorials, in particular the Screening Tutorial

Improved

  • Tables: appearance, speed and filtering options
  • Amino Acid Type Prediction
  • AnalysisAssign: Backbone Assignment Settings
  • AnalysisAssign: Peak Assigner
  • AnalysisAssign: AssignmentGraph
  • AnalysisStructure: Xplor NIH calculation setup
  • AnalysisStructure: wwPDB xml report import
  • AnalysisScreen: HitAnalysis Module
  • AnalysisScreen: Pipelines Module
2

Hi VickyH! What a great news!!!

Is version 3.1.1 available on NMRBOX?

Best Regards

3

Yes, it is. But at the moment only the most newly updated machines:

Screenshot 2023-01-31 at 09.16.44
Screenshot 2023-01-31 at 09.16.44708×316 28 KB

NMRbox apply the CcpNmr Analysis updates whenever they take the machines offline for reboot. Because we issue updates quite frequently, it’s always good to make sure you log into one of the newest machines so you get the most up-to-date version. You can check which these are by going to NMRbox.org and logging into your account and then going for the hosts with the largest number of days until reboot.

Vicky

1 Like
4

Thank you for the reply, Vick.

Please can you also suggest how can I extract the fitted T1, T2 (R1, R2) values on Relaxation Data Analysis Module (alpha)?

Best regards

Vitor

5

Hi Vitor,

I’ve not actually even tried this myself yet! But we will be preparing some information on this over the next couple of weeks for a Leicester University internal workshop we’re running, so once that’s done we’ll make that generally available, too.

Vicky