New Release

Category: Versions

New Versions of PERCH's NMR Prediction and Automated Consistency Analysis (ACA) released

Significant New Features:

• Complete NMR shift and coupling assignments for 1H, HSQC and now also for 13C spectra in semi- and full automation
• Consistency of the extracted NMR-parameters with a given structure evaluated now also using 13C information
• New GUI now also including interactive assignments of the 13C spectrum
• Possibility to train prediction models for chemical shifts (1H, 13C) AND J-couplings using customer data completely in house without revealing data to PERCH or any other third party
• Completely new J-prediction model based on carefully analyzed experimental data which also includes hetero-couplings for 13C
• Output of chemical shifts and couplings in customizable journal formats
• Now supports arbitrary number of fully concurrent instances from one single installation 
  
  

Significant Improvements:

• New prediction models for 1H & 13C chemical shifts and couplings 
• Faster prediction through accelerated molecular mechanics for conformational analysis
• Improved support of multicore processors
• Reporting feature improved to enhance clarity and readability of reports
• Improved JCAMP-DX support
• Enhanced solvent support
• Improved tolerance for reference problems between HSQC and 1H as well as 13C spectra 
  
  

Availability: Download here

Update: Please contact us, you might be eligible to a FREE UPDATE!