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relax (molecular dynamics analysis)

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  Analyzed about 11 hours 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]

481K lines of code

2 current contributors

5 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...

ccp4 dimple

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  Analyzed about 7 hours ago

Macromolecular crystallography pipeline. Refinement and ligand screening.

4.08K lines of code

3 current contributors

11 months since last commit

0 users on Open Hub

Very Low Activity
0.0
 
0 Reviews
I Use This
Mostly written in Python
Licenses: apache_2
Tags biochemistry crystallography