The invention discloses a three-dimensional
Gaussian modeling method for analyzing biomacromolecule components and conformation heterogeneity, and belongs to the technical field of cryoelectron
microscope image processing. According to the method, the component and conformation heterogeneity can be directly represented through the change of
Gaussian parameters, and an intuitive and explainable structure change description is provided; the consistency and integrity of the
local structure along the transformation trajectory are ensured through geometric constraint; modeling of tens of thousands of
Gaussian models on a pseudo-atom level is supported;
gaussian variation is converted into an atomic conformation landscape through natural support, and a direct bridge is provided between density-based analysis and pseudo-atom level interpretation; the method is realized through an efficient Gaussian projection
algorithm and
parallel computing, and the
processing capacity of a large-scale
data set is remarkably improved. According to the method, the component and conformation heterogeneity can be effectively processed at the same time, the continuous conformation change is visually represented, the
local structure consistency is kept, the
density model and the atomic model are naturally connected, and the defects in the prior art are overcome.