Farseer-NMR / FarSeer-NMR
A software suite for automatic treatment, analysis and plotting of large and multivariable datasets of bioNMR peaklists.
☆10Updated 4 years ago
Alternatives and similar repositories for FarSeer-NMR:
Users that are interested in FarSeer-NMR are comparing it to the libraries listed below
- Deep Neural Networks for Analysing NMR time domain data☆10Updated 3 months ago
- Calculate electron density from a solution scattering profile☆31Updated 3 weeks ago
- (outdated) fork of https://gitlab.com/gromacs/gromacs☆53Updated last year
- LOOS: a lightweight object-oriented structure analysis library☆122Updated 2 months ago
- BioEn - Bayesian Inference Of ENsembles☆16Updated 11 months ago
- A Python toolkit for the analyis of lipid membrane simulations☆29Updated last month
- python program for analyzing isothermal titration calorimetry data☆28Updated 5 years ago
- PyMOL plugin to calculate accessible contact volumes on PDB structures☆9Updated 2 months ago
- Generate coarse-grained molecular dynamics models from atomistic trajectories.☆60Updated 2 years ago
- A python module for flexible Poisson-Boltzmann based pKa calculations with proton tautomerism☆57Updated 11 months ago
- Quickly generate, start and analyze benchmarks for molecular dynamics simulations.☆77Updated 4 months ago
- ☆22Updated 2 years ago
- Python package for modelling enzyme reactions using Monte carlo sampling from parameter distributions☆29Updated 3 years ago
- 📐 Symmetry-corrected RMSD in Python☆90Updated 2 months ago
- Create coarse grain Martini input files for Gromacs from (atomistic) pdb files.☆32Updated 2 years ago
- Software for the prediction of DEER and PRE data from conformational ensembles.☆12Updated 4 months ago
- Physical validation of molecular simulations☆56Updated last week
- INSert membrANE - A simple, versatile tool for building coarse-grained simulation systems☆51Updated 9 months ago
- Build hydrogen atoms from united-atom molecular dynamics of lipids and calculate the order parameters.☆14Updated 2 years ago
- C-library for calculating Solvent Accessible Surface Areas☆123Updated 7 months ago
- View proteins and trajectories in the terminal☆103Updated 4 years ago
- A voxel based approach for dynamic cluster analysis of molecular dynamics trajectories.☆25Updated 6 months ago
- Draw molecules with plotly!☆43Updated 4 months ago
- Modeling molecular ensembles with scalable data structures and parallel computing☆34Updated last month
- Main code repository for FATSLiM☆21Updated 2 years ago
- Dynamic Histogram Analysis To Determine Free Energies and Rates from Biased Simulations☆20Updated 6 years ago
- Toolkit to aid in the analysis of lipid bilayer molecular simulation trajectories.☆24Updated 3 years ago
- LiveCoMS GROMACS Tutorials Paper☆111Updated 5 years ago
- A document for the Living Journal of Computational Molecular Science (LiveCoMS) which describes basic training for molecular simulations …☆110Updated 6 years ago
- Protein and nucleic acid validation service☆68Updated 10 months ago