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Beta downloads

Downloads for the beta2 release of Analysis Assign, October 2017

Note

New Features - Changes from beta1 to beta2

There have been numerous updates to the first beta release of AnalysisAssign, the most important of these are listed below:

  • New Modules:
    • Assignment inspector module
    • Chemical shift mapping with interactive bar Chart and pymol integration
    • Redesign of modules and popups, in particular
      • NmrTable
      • Preferences
      • SpectrumProperties
    • More Gui features
    • Copy PeakList across spectra: Via Popup or Drag and drop of PeakLists from SideBar.
      • Drag and drop NmrResidues on SpectrumDisplay
  • More mouse commands:
    • move peak
    • snap peaks to extremum
    • select all peaks
    • move to next/previous spectrum
    • More actions from tables.
      • Double-clicking peak table entry zoom/moves current display to peak location
      • Double-clicking nmrResidue table entry zoom/moves current display to nmrResidue location
  • Reordering functions (Peak and Spectrum.reorderValues(self, values, newAxisCodeOrder) to get reordered values from Peak and Spectrum
  • Improved experiment type selection
  • Added selection of samples in spectrum popup.
  • Added Reference spectra for substance popup
  • Archiving
  • Generation of summaries, with option to save to pdf and excel
  • Improved Tables: advanced search option and columns filter, Added exporters to CSV/TSV/Json/xls/ for all tables
  • Excel reader for loading spectra/sample/substances/spectrumGroups
  • Multi-selection on sidebar
  • 1D spectra exporters to JPG/SVG/CSV
  • Integrals and integral tables
  • Nef Importer and Exporter
  • StyleSheet reorganisation

There have also been many bug fixes and improvements to the undo/redo features.

Licence and Updates

To get an updated licence download for beta2 users whose licence has expired, fetch the following tgz or zip file and unpack it inside the top-level directory of the release. The licence below is valid until 30 April 2018.

e.g.: tar xzf Licence.tgz ~/home/user/projects/Analysis

http://www.ccpn.ac.uk/download/ccpnmr_v3/Licence.tgz

or alternatively use unzip:

http://www.ccpn.ac.uk/download/ccpnmr_v3/Licence.zip

Mac download

The Mac download was compiled on OS X 10.10 (Yosemite).  It consists of a zip file.  When you have downloaded this, just unzip it where you want on your disk (except no blank spaces in the directory path). To execute the program, open up an ordinary Mac terminal window and run bin/assign.  You can add the bin/ directory to your PATH, in which case you will then be able to run it just by typing assign. (Creating a symbolic link to assign will not work.)

http://www.ccpn.ac.uk/download/ccpnmr_v3/AnalysisAssign_3.0.b2_MacOSX_r1.tgz

(Currently contains a licence until 30th April 2018.)

The Mac download does not contain the following example data files and tutorials.

Data and Examples

The following download contains tutorials and examples to experiment with. Download to your downloads folder and then extract to your projects folder e.g. ~/home/user/projects with:

tar xzf AnalysisAssign_3.0.b2_Data_r1.tgz ~/home/user/projects/Analysis

which will give you a /data subdirectory.

http://www.ccpn.ac.uk/download/ccpnmr_v3/AnalysisAssign_3.0.b2_Data_r1.tgz

or alternatively use unzip:

http://www.ccpn.ac.uk/download/ccpnmr_v3/AnalysisAssign_3.0.b2_Data_r1.zip

Linux download

For Ubuntu (at least version 14), Centos (versions 5, 6, 7) and OpenSuse 13.4, download one of the following and extract it, e.g., tar xzf AnalysisAssign_3.0.b2_LinuxUbuntu17.04_r1.tgz ~/home/Users/Projects

http://www.ccpn.ac.uk/download/ccpnmr_v3/AnalysisAssign_3.0.b2_LinuxCentOS7_r1.tgz

http://www.ccpn.ac.uk/download/ccpnmr_v3/AnalysisAssign_3.0.b2_LinuxOpenSuse_r1.tgz

(Currently contains a licence until 30th April 2018.)

These might also work for some other flavours of Linux (please let us know if they do!). If they do not work for a particular Linux variant, please contact us to see if we can work with you to get a distribution ready.

General comments

As soon as you start up AnalysisAssign, the first thing you should do is get the updates.  These can be obtained via the help menu: Help --> Check for Updates. Once you have installed the updates, you need to quit the programme and restart it in order for the changes to take effect. If no updates are available then it will show a count of 0.

Notes for Analysis v2 users

If you open up an Analysis v2 project in v3 then it will automatically get converted to v3 format. The main difference between the formats for v2 and v3 is that in v3 the top-level directory has a ".ccpn" suffix attached, and the xml files are one level further down, in the sub-directory ccpnv3 of the project directory (inside that sub-directory you will find memops/, ccp/ and ccpnmr/, as usual).