Chenomx NMR Suite

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Chenomx NMR suite is an integrated suite of tools that allow you to easily identify and quantify metabolites in NMR spectra. The following products make up Chenomx NMR Suite:

Chenomx Profiler
Chenomx Profiler offers you a broad range of tools to assist in identifying and quantifying compound concentrations based on data in an NMR spectrum.
Using a compound library of over 260 unique spectral signatures together with sophisticated computer-assisted fitting routines, you can accomplish in minutes what would have taken hours or days using manual analysis methods.
 
Chenomx Compound Builder
Chenomx Compound Builder was developed to address a recurring customer request: the capability to add custom compounds to a Compound Library. Compound Builder allows a user to create a signature that models the compound of interest.
This capability lets users create signatures for compounds that are not present in the standard Chenomx Compound Library, and subsequently use those proprietary compounds in an analysis within Profiler.
 
Chenomx Spin Simulator
Chenomx Spin Simulator is a simple yet powerful tool for creating simulations of NMR spectra, based on user-defined spin systems, coupling relationships and reference spectra. You can use these simulations as starting points for creating your own compound signatures based on fundamentals of NMR theory.
 
Chenomx Library Manager
Chenomx Library Manager allows you to create and manage Compound Sets for use in Profiler. Compound Sets can contain any compound signatures in your library, including those from the Chenomx library as well as those that you create with Compound Builder.
You can tailor a Compound Set to a specific project. For example, in a research project, you may only be interested in examining the concentrations of five particular compounds for a drug study; you can use Library Manager to create a Compound Set including only those compounds.
 
Chenomx Processor
Chenomx Processor allows a variety of native spectrum formats to be converted into the Chenomx file format. These include: Varian,Bruker and JCAMP (Version 5.1 and above)
 
In addition, Processor allows users to identify or manually override the automatically determined parameters for the Chemical Shift Indicator. Processor can also be used to determine and set a variety of properties for the spectrum, such as pH.
 
The Chenomx license is for two instances of Chenomx. Chenomx can be run in BSCL and through MSI Remote Visualization GPUT.Chenomx currently runs in the BSCL on bl3-bl12
SW Documentation: 

To run Chenomx  interactively in the BSCL  Linux environment run the commands:

module load chenomx 

ChenomxNmrSuite.sh

When the program asks for a license file click the license button and browse for

/soft/chenomx

Then pick the file that is named BL#.cnxlic where the # is the computer number you are on. For example if you running on bl10 then use file BL10.cnxlic. NOTE: ANY TIME YOU SWITCH COMPUTERS YOU WILL HAVE TO RELOAD THE CORESPONDING LICENSE FILE. You then need to load the compound libraries.To load the libraries follow these instructions.To install the Chenomx Compound Library.

  • 1. Open the Library Manager module of Chenomx NMR Suite.
  • 2. On the Compounds menu, click Import...
  • 3. Click the Browse button (...), and navigate to the folder in which you saved your Chenomx compound packs (.pack).
  • On the machines they are located at /soft/chenomx
  • 4. Select the compound packs that you would like to install, and click Choose Files.
  • 5. Click Next.
  • 6. If you would like Library Manager to automatically create compound sets for the imported compounds, select Create associated compound sets. Creating compound sets is strongly recommended.
  • If you prefer to simply import the compounds, clear the Create associated compound sets check box. You will need to create compound sets later to use the imported compounds in Profiler.
  • 7. Click Finish.

To run Chenomx remotely:

ssh to login.msi.umn.edu
isub -q chenomx

The above two commands will start a TurboVNC session on a gput node, and print out a list of instructions detailing how to connect to it. More detail can be found at the gput page

To run this software interactively in a Linux environment run the commands:

module load chenomx
chenomx

To view the online manual click the help icon on the Chenomix start up menu.

Short Name: 
chenomx
SW Module: 
chenomx
Service Level: 
Minimal (2)