OpenStructure
Namespaces | Functions
trajectory_analysis.py File Reference

Go to the source code of this file.

Namespaces

 ost.mol.alg.trajectory_analysis
 

Functions

def smooth (vec, n)
 
def RMSD_Matrix_From_Traj (t, sele, first=0, last=-1, align=True, align_sele=None)
 
def PairwiseDistancesFromTraj (t, sele, first=0, last=-1, seq_sep=1)
 
def DistanceMatrixFromPairwiseDistances (distances, p=2)
 
def DistRMSDFromTraj (t, sele, ref_sele, radius=7.0, average=False, seq_sep=4, first=0, last=-1)
 
def AverageDistanceMatrixFromTraj (t, sele, first=0, last=-1)
 
def AnalyzeDistanceFluctuationMatrix (t, sele, first=0, last=-1)
 
def IterativeSuperposition (t, sele, threshold=1.0, initial_sele=None, iterations=5, ref_frame=0)