Project for analysis of protein structures in .pdb file format. It calculates some structure parameters and can compare two structures by calculating the RMSD.
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Updated
Feb 16, 2021 - Python
Project for analysis of protein structures in .pdb file format. It calculates some structure parameters and can compare two structures by calculating the RMSD.
Charged particle trapped in a magnetic dipole field: gyration, bounce, and drift motion, plus the first adiabatic invariant and its numerical conservation.
These are python version of codes that I wrote to analyze images and videos of a macromolecule, that I took via fluorescence microscopy, in my research in grad school.
Step-by-step GROMACS workflow for protein molecular dynamics simulations
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