What's New in ACD/LC Simulator

Version 2017.1

Biotools now available for creating sequences using one or three letter codes
Click to expand

Biotools now available for creating sequences using one or three letter codes

Enhanced capabilities for handling biomolecules

  • Support for standard one-letter and three-letter peptide sequence codes
  • Manage peptide and amino acid nomenclature
  • Easily switch between single and three letter notation, and full structure of amino acids

Data Import/Export

  • Support of FASTA and HELM file formats for biomolecules
  • We continue to improve and support all major instrument vendor data formats. This version includes enhancements to the following:
    • Shimadzu LC-IT-TOF; Waters MassLynx MSE, Empower (and UNIFI); Samsung GC-MS data; Bruker Compass; Thermo Xcalibur; SCIEX Analyst and Triple TOF; JEOL K9; and netCDF
    • Full support of new Bruker TopSpin 4.0 and Avance Neo data format
    • Improved support for JEOL standard, JEOL NUS and benchtop (Magritek, Nanalysis) datasets
    • Ability to export spectra series data in ASCII format
    • Improved support for MSE/All Ions Fragmentation acquisition

Technique-Specific Processing & Analysis


  • Select an area of a chromatogram for processing and analysis to ignore early and late eluting artifacts Click to expand


  • Sequential reaction schemes (drawn in several lines in ChemSketch) may be combined to an overall scheme in a record (redundant reaction arrows in multi-line schemes are recognized and omitted)
  • Sort values, specific to the root-level structure, in Table view mode


  • Retention of atom numbering when a structure is duplicated
  • Modify atom numbering in a duplicated structure
  • Display data from a user table into individual boxes in user-defined screen forms
  • Define the number of decimal places and the scientific format for numeric data in the ‘Edit Column Settings’ dialog box


  • Added the ability to reorder columns in the Table Options dialog box

Click to expandVersion 2015 to Version 2016.1

Click to expandView What's New in the previous version