TREND NMR suite
The new release (v1.8, Sept. 2019) adds the TRENDNMR and TRENDanalysis programs and enhances the original suite called TREND classic.
TRENDNMR and TRENDanalysis are optimized for NMR (Xu and Van Doren, 2018, Methods Enzymol.). TREND classic is for application to a greater variety of measurements.
Accelerated drug-discovery tools are available in the TRENDset option. TRENDset is featured in the fee-based upgrade to TREND NMR Pro.
TRENDNMR, NMR-optimized successor to trendmaingui
- Automatic detection of file type
- Supports zooming in on the Region of Interest (ROI)
- Flag spectral intensity decrease and warn of potential aggregation
- Powerful and flexible support of peak lists:
- 2D or multidimensional NMR peak lists
- Not only chemical shifts but also other peak properties such as peak height can be utilized and scaled
- Can combine or interleave different fields of the same peak, e.g. shifts of 1H and X-nucleus
- Multiple methods of handling missing values
- Peak list can be referenced to the first spectrum.
- Supports NMR-STAR format
- Supports BMRB accession codes
- Implements CONCISE strategy of comparing enzymes using their NMR peak lists
TRENDanalysis
- Supports various data fitting models, including fitting of KD to binding isotherm
- Supports fitting with user-defined equations
- PCA biplots with clustering by a choice of algorithms
- Clusters results from trendmain or TREND NMR
- Supports CONCISE strategy for comparing open to closed states of enzymes and receptors.
TRENDset
This is for drug discovery and other medium throughput usages. TRENDset has been carefully validated against standard methods by the biomolecular NMR group at AbbVie (Namanja et al., 2019, J. Biomol. NMR, in press).
Part of TREND NMR Pro by subscription
- Ranks “hits” or “binders” automatically from a single spectrum of each ligand-target complex and a spectrum of the unbound target
- Determines the binding isotherm and KD of each titration in a batch of titrations, with ranking by KD
- Warns of false positives
- Can be used to work on a batch of any data series and rank the results by the fitted parameters
TREND classic
trendmaingui and trendmain
- Supports zooming in on the Region of Interest (ROI)
- Supports Siemens RDA format
- Supports Matlab MAT-File format, Python Numpy NPY format
- More converged noise detection algorithm
- Support multiple users on Linux platform
trendreconstructgui and trendreconstruct
- Supports ICA reconstruction
Released (2016-11-22)
trendmaingui and trendmain
- Supports Bruker Topspin FID/spectra, Agilent(Varian) FID/Spectra
- Supports various JCAMP-DX formats
- Enables clipping of input video by setting starttime and endtime
trendreconstructgui and trendreconstruct
- Supports reconstruction of NMRPipe FT2 format
- Supports reconstruction of Topspin FID/Spectra, Agilent FID