CcpNmr Analysis Version-3 software

This Changelog shows the changes to CcpNmr Analysis Version-3 software.

3.0.1-Updates
August 9, 2022

updates are made available on an irregular basis when they are ready. You should be prompted to install them when you open the program.

Improved

Amino Acid Type Prediction

Fixed

Several bugs

3.0.1
July 8, 2022

New release with significant changes to some of the underlying code

Added

handling of pseudo-3D spectra

Added

Collections - an easy way to organise data in a project

Added

DataTables - an easy way to store any data analysis data

Added

interactive shifting of 1D spectra

Added

Tip of the Day

Added

Key Concepts for new users

Added

AnalysisStructure: Structure menu with various features

Added

AnalysisStructure: export/import for structure calculation with XPLOR-NIH

Added

AnalysisStructure: Restraint Analysis Tables

Added

AnalysisStructure: PDB Validation Report import

Added

AnalysisScreen: spectrum scaling

Added

AnalysisScreen: Mixture labelling by well plate numbers

Added

AnalysisScreen: export of Mixtures to Bruker robot format

Fixed

Bruker format spectra automatically scaled with NC_RPOC value

Updated

main menus (now follow standard menu structure: File, Edit, View etc.)

Updated

mouse context menus

Updated

CCPN macros menu

Updated

NEF Importer

Updated

PeakAssigner interface

Updated

Data Loaders

Updated

Reference Chemical Shifts module

Updated

BMRB Import and Peak List creation

Updated

AnalysisScreen: HitAnalysis interface

Updated

tutorial files and projects

Updated

html manual files

Improved

speed of working with NmrPipe data (now uses and intermediate buffer file)

Improved

handling of Chemical Shifts and Chemical Shift Lists

Improved

organisation of underlying code

Improved

speed when dealing with large/many tables

Improved

copy peaks behaviour

Improved

bulk operations which alter many peaks or table entries are much faster (e.g. copy peaks etc.)

Improved

AnalysisScreen: Peak Matching

Improved

AnalysisScreen: data filtering and labelling

Improved

AnalysisScreen: Mixture Analysis

3.0.4
April 21, 2021

Stability Release with MacOS Big Sur and ARM compatibility

Added

Support for small molecules: new Chains can be defined and imported into AnalysisAssign

Added

Improvements to Drag & Drop of NmrAtoms for ambiguous peak assignments

Added

Macro to calculate Distance Restraints from a peak list

Fixed

general bug fixes for improved stability

Fixed

NEF parser general bug fixes

Updated

Academic licence extended to 2100 for usability

Improved

general graphical speed optimisations

3.0.3
January 11, 2021
Added

New context menu items on sidebar, including actions for cloning SpectrumGroups and ChemicalShiftLists

Added

New context menu items and toolbar shortcuts for 1D spectrum Display

Added

New fonts for SpectrumDisplays and widgets

Fixed

Various minor bug fixes on GUI items and core objects

Fixed

Significant speed optimisation on opening and displaying spectra

Fixed

Validating SSL certificates

Fixed

Reading NMRStar files containing multiple chains

Updated

New and updated html video tutorial files