pybilt.mda_tools package


pybilt.mda_tools.mda_area_compressibility_modulus module

Implementation of area compressibilty modulus The are compressibilty modulus is an elastic property that can be computed from the total area (in the lateral dimension) and its fluctuations. The quantity is given by

K_A = kT<A>[ <(A - <A>)^2>]^-1,

where A is the area per lipid, k is Boltzmann’s constant and T is the temperature (in Kelvin). See references: Coarse Grained Model for Semiquantitative Lipid Simulations Siewert J. Marrink, Alex H. de Vries, and Alan E. Mark J. Phys. Chem. B, 2004, 108 (2), pp 750-760 DOI: 10.1021/jp036508g

Molecular Dynamics Simulations of Cardiolipin Bilayers Martin Dahlberg and Arnold Maliniak J. Phys. Chem. B, 2008, 112 (37), pp 11655-11663 DOI: 10.1021/jp803414g

pybilt.mda_tools.mda_area_compressibility_modulus.area_compressibility_modulus(mda_trajectory, temperature, normal='z', first=0, last=-1, interval=1)[source]

pybilt.mda_tools.mda_density_map module

pybilt.mda_tools.mda_density_profile module

pybilt.mda_tools.mda_deuterium_order_parameter module

pybilt.mda_tools.mda_distance module

pybilt.mda_tools.mda_msd module

pybilt.mda_tools.mda_unwrap module

Module contents