mvcpy 0.0.1

molecularclustering

#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 '''

2. 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])

'''