NMR Software & Simulations

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Students in ‘Principles of Magnetic Resonance’ (PMR) at ASU in Spring 2020 need to register on Spintropy (www.spintropy.com) and Bruker (www.bruker.com) for academic accounts.  Spintropy is a cloud service (developed by Dr. Samrat Amin) for NMR data and Bruker has a freely available software package (free for ACADEMIC users/students), TopSpin, that will be needed for data processing and analysis.   A tutorial for Spintropy registration and Bruker Topspin installation are provided below:

Links to NMR Software, Applications & Analysis

Open VNMRJ
  • Bruker NMR Software Portfolio.
  • OpenVnmrJ – Open Source parts of VnmrJ 4.2, used for NMR Data processing and acquisition.
  • ssNAKE – A spectra fitting and processing standalone program designed primarily for solids NMR. A stand alone GUI installer is provided as well as python source code on a git.
  • NMRFx -Integrated Software for NMR Analysis
    • Norris, M., Fetler, B., Marchant, J., & Johnson, BA., (2016) J. Biomol. NMR 65:205-216. NMRFx Processor: a cross-platform NMR data processing program
  • NMR Glue – A module for working with NMR data in Python, providing a robust environment for rapidly developing new methods for processing, analyzing, and visualizing NMR data. Nmrglue also provides a framework for connecting existing NMR software packages, including Agilent/Varian, Bruker, NMRPipe, Sparky, SIMPSON, and Rowland NMR Toolkit.
  • Delta NMR – Jeol
  • MetreLab Research – Mnova.
  • Chenomx – NMR Metabolomics.
  • RMN – Grandinetti Group – Software – Now part of PhySy Calc.
  • MatNMR – Provides a MATLAB interface for process, analyze and visualize 1D and 2D nuclear magnetic resonance (NMR) data.
  • rNMRvisualizing and interpreting one and two dimensional NMR data.
  • Perch Solutions.
  • NMRbox – is a resource for biomolecular NMR (Nuclear Magnetic Resonance) software. It provides tools for finding the software you need, documentation and tutorials for getting the most out of the software, and cloud-based virtual machines for executing the software.
  • NMR information Server: Software.
  • NMR WikiNMR Software Wiki.
  • gNMR – Unsupported package.
  • DMFit 2015 – A spectra fitting standalone program especially well-suited for fitting amorphous solids.
  • MagresView – An intuitive opensource tool for visualization of ab-inito predicted parameters.
  • CCPN – The Collaborative Computing Project for NMR (CCPN) aims to bring together computational aspects of the scientific community involved in NMR spectroscopy.

Links to MRI Software, Processing and Visualization

  • ParaVision360 – Bruker MRI Software.
  • ImageJ Plugin.
  • MR Research Center – MRRC: Sofware Resources.
  • MRIlab: A MATLAB Numerical Simulation Platform for Magnetic Resonance Imaging (MRI)
  • SIMRI: a versatile and interactive Magnetic Resonance Imaging (MRI) simulator.
  • MIPAV -The MIPAV (Medical Image Processing, Analysis, and Visualization) application enables quantitative analysis and visualization of medical images of numerous modalities such as PET, MRI, CT, or microscopy.
  • FreeSurfer – An open source software suite for processing and analyzing (human) brain MRI images.
  • MicroDicom – MicroDicom is application for primary processing and preservation of medical images in DICOM format.
  • BrianSuite – A collection of open source software tools that enable largely automated processing of magnetic resonance images (MRI) of the human brain.
  • OsiriX – A widely used DICOM viewer.

Links to Simulation and Computation Software and Programs

BioMolecular
  • NMRPipe – UNIX-based collection of programs and scripts for manipulating multidimensional Nuclear Magnetic Resonance (NMR) datanmrpipe_logo_webbg
  • YASARA – NMRStructure Determination – Protein.
  • Glycan NMR Tools
  • NmrLineGuru: NMR Binding.
  • Sparky – NMR Assignment and Integration Software
  • SPINS – Standarzing Protein NMR Storage.
  • CCPN – The Collaborative Computing Project for NMR (CCPN) is a project that aims to bring together computational aspects of the scientific community involved in NMR spectroscopy of biological molecules, especially those who work in the field of protein NMR.

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