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relax (molecular dynamics analysis)

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  Analyzed 3 days ago

relax is a program designed for the study of molecular dynamics of organic molecules, proteins, RNA, DNA, sugars, and other biomolecules through the analysis of experimental NMR data. It supports exponential curve fitting for the calculation of the R1 and R2 relaxation rates, calculation of the NOE ... [More] , reduced spectral density mapping, the Lipari and Szabo model-free analysis, study of domain motions via the N-state model or ensemble analysis and frame order dynamics theories using anisotropic NMR parameters such as RDCs and PCSs, and the investigation of stereochemistry. [Less]

482K lines of code

2 current contributors

6 months since last commit

1 users on Open Hub

Very Low Activity
5.0
 
0 Reviews
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Mostly written in Python
Licenses: gpl3_or_l...
Tags analysis biochemistry chemistry consistency_testing dynamics ensemble frame_order model_free modelfree nmr noe n_state 8 more...

bmrblib

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  Analyzed about 4 hours ago

Bmrblib is a Python API abstracting the Biological Magnetic Resonance Data Bank (BioMagResBank or BMRB) NMR-STAR format (http://www.bmrb.wisc.edu/). It allows the writing of NMR-STAR files for BMRB data deposition and the reading and easy extraction of data from files residing in the BMRB data bank ... [More] , all without knowledge of the Self-Defining Text Archive and Retrieval (STAR) format. [Less]

200K lines of code

0 current contributors

6 months since last commit

1 users on Open Hub

Very Low Activity
0.0
 
0 Reviews
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Mostly written in Python
Licenses: gpl3_or_l...
Tags biomagresbank bmrb library model_free nmr python r1 r2 saveframe

Pathomx

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  Analyzed 1 day ago

Pathomx is a tool for the analysis of metabolic pathway and associated visualisation of experimental data. Built on the database it provides an interactive map in which multiple pathways can be simultaneously visualised. Multiple annotations from the MetaCyc database are available including ... [More] synonyms, associated reactions and pathways and database unification links. Metabolomics change data can be imported via simple CSV formats for visualisation on targeted pathways. Pathways can be mined and removed algorithmically to identify key regulated pathways within in a given dataset providing a simper route to metabolic function. [Less]

36.9K lines of code

0 current contributors

over 9 years since last commit

1 users on Open Hub

Inactive
5.0
 
0 Reviews
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Mostly written in JavaScript
Licenses: gpl3
Tags analysis data_visualisation mass_spectrometry metabolism metabolomics nmr pathway_analysis visualisation

NMR-NESSY

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  Analyzed about 17 hours ago

NESSY is an open source software to analyse NMR relaxation dispersion data of either CPMG or R1p (R1rho) dispersion experiments. The graphical interface enables simple management of large experimental data sets and simple and automated analysis. NESSY autamatically calculates effective transverse ... [More] relaxation rate (R2eff) and performs model selection between different relaxation dispersion models. [Less]

14.5K lines of code

0 current contributors

about 7 years since last commit

0 users on Open Hub

Inactive
0.0
 
0 Reviews
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Mostly written in Python
Licenses: gpl3_or_l...
Tags analysis dispersion nmr r2 relaxation