CheShift is a software for prediction of 13Cα and 13Cβ chemical shifts and validation of protein structures.
-
Updated
Jun 14, 2017 - Python
CheShift is a software for prediction of 13Cα and 13Cβ chemical shifts and validation of protein structures.
Analysis of 1D and 2D NMR titration experiments.
Quantitative NMR analysis through least-squares fit of spectroscopy data
A software suite for automatic treatment, analysis and plotting of large and multivariable datasets of bioNMR peaklists.
Simulation of Dynamic Nuclear Magnetic Resonance (DNMR) spectra (beta v0.5.0)
Extract signals from J-resolved NMR spectra (Cox et al., 2020)
Exploratory data science library for NMR and structural biology
Integration of isotopic measurements
Study of molecular motion of Glycerol using NMR modeling and simulations
The nmrstarlib package is a Python library that facilitates reading and writing NMR-STAR formatted files.
A very simple Python script to generate a normal X/Y csv file from a Bruker TopSpin® .txt file
PyMOL plugin to modify molecular structure via turnstile rotation
A tool for visualization and analysis of nD NMR data sets using napari and nmrglue
XPLOR-NIH code and test datasets for PCS-CPMG methodology
A NICS-based multi-dimensional method to visualise areas of aromaticity and antiaromaticity in molecules. NICS values are calculated using Gaussian. Developed as part of an MChem project at Loughborough University.
Multiprocessing Peak Picking Software for UCSF NMR Spectra
Add a description, image, and links to the nmr topic page so that developers can more easily learn about it.
To associate your repository with the nmr topic, visit your repo's landing page and select "manage topics."