molecularclustering
Project description
#mvcpy
Molecular clustering analysis, utilizing SpringSaLad Software. By Aniruddha Chattaraj and Compiled by Abdulsalam Raja. Release 0.0.1 - 8/24/22
##Instructions
- Installation:
''' pip install MVC_Py '''
- 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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