Version 2.3.1 update

Feb 27, 2019 | 0 comments

NOMAD user have not seen many updates for quite some time as we have worked quite intensively on the server side of the project. We have finished that and have now much more streamline way to deploy changes and also distribute the system to other NMR labs and we hope to bring some more news about that very soon.

Once the pipelines were ready, we pushed a major updated that has fixed few bugs but e biggest change is a module called Laimh that enables to automatically capture NMR data sets acquired on instruments working in manual mode. At the moment Laimh basic functionality that allows users to claim the data sets and download them. Furthermore, it automatically accounts for machine time and storage used for the data sets. Currently, we work on additional features that should allow to record more information about the individual experiments in data sets and provide more search criteria. We also plan to add workflow that would allow to create compounds from experiments in manual data sets.

 

Version 2.3.1 changelog

New
  • Laimh – module for automatic data mining of manual experiments
  • Copy compound function
Improved
  • Various improvements of text in automatic e-mails
  • Experiment search is automatically executed after user logs in
Fixed
  • Compound can’t be deleted
  • Ketcher does not allow to edit or clean up structures
  • Minor user management issues
  • Compound search – filtering by date bug