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mvcpy

molecularclustering

  • 0.0.1
  • PyPI
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#mvcpy

Molecular clustering analysis, utilizing SpringSaLad Software. By Aniruddha Chattaraj and Compiled by Abdulsalam Raja. Release 0.0.1 - 8/24/22

##Instructions

  1. Installation:

''' pip install MVC_Py '''

  1. Generate molecular clustering analysis

''' python

from mvcpy.ClusterAnalysis import mvc

file = " "
#runs = [0,1,2,3,4]
ca = mvc.ClusterAnalysis(file, t_total=None, runs=None, withMonomer=True)
print(ca)
ca.getMeanTrajectory()
ca.getSteadyStateDistribution(SS_timePoints=[0.003,0.004,0.005])

'''

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