schrodinger.trajectory.lipid_analysis module

A modue of classes to analyze Desmont trajectories of bilayer systems

Copyright Schrodinger Inc. All rights reserved. Contributores: Dmitry Lupyan

class schrodinger.trajectory.lipid_analysis.AreaPerLipid(nlipids_per_leaflet=None, *args, **kwargs)

Bases: schrodinger.trajectory.analysistool.AnalysisTool

Figure out what’s the area per lipid in the pure membrane system

doFrameInit(frame)

getFrameResults()

processFrame(frame)

class schrodinger.trajectory.lipid_analysis.PhospholipidBilayerThickness(atomsel, n_iter=5, origin=array([ 0., 0., 0.]), is_small_box=False, *args, **kwargs)

Bases: schrodinger.trajectory.analysistool.AnalysisTool

This method will center the system in around the Z-axis == 0, and will calculate Phosphorus-Phosphorus distance from two bilayer leaflets.

doFrameInit(frame)

getFrameResults()

getLabel()

plot(*args, **kwargs)

A generic matplotlib 2D plot implementation.

processFrame(frame)