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mdanalysis

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  Analyzed about 21 hours ago

MDAnalysis is an object-oriented python toolkit to analyze molecular dynamics trajectories generated by CHARMM, NAMD, LAMMPS, or Gromacs. It allows one to read molecular dynamics trajectories and access the atomic coordinates through numpy arrays. This provides a flexible and relatively fast ... [More] framework for complex analysis tasks. In addition, CHARMM-style atom selection commands are implemented. Trajectories can also be manipulated (for instance, fit to a reference structure) and written out. Some time-critical routines are written in C or Cython and require a working C compiler. MDAnalysis comes with an expanding library of analysis functions such as RMSD-fitting or analysis of lipid membrane bilayers. [Less]

78.3K lines of code

37 current contributors

4 days since last commit

6 users on Open Hub

Moderate Activity
5.0
 
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nMoldyn

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  No analysis available

nMOLDYN is an interactive analysis program for Molecular Dynamics simulations. It is especially designed for the computation and analysis of neutron scattering spectra, but also computes other quantities.

0 lines of code

0 current contributors

0 since last commit

2 users on Open Hub

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0.0
 
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Mostly written in language not available
Licenses: No declared licenses