Virus particle sizes ====================== Virus particles (capsids) are made up of many identical protein units and are often extremely symmetrical. For this reason, both when determining virus structures and when representing them in the PDB archive, not all coordinates of the atoms are reported, and not even all coordinates of the independent crystal atoms (the asymmetric unit), but only those coordinates the atoms from which all remaining atoms can be restored with the help of the symmetry operators. The symmetry operators themselves are also specified in special entries in PDB files [1]. To find out any structural features of virus particles characteristics, in particular those not specified in the PDB file, coordinates of all atoms should be reconstructed and analysed. This can be done by applying symmetry operators specified in the PDB file. Questions: - how many virus particle structures are there in the PDB archive? How many of them are icosahedral? Describe and discuss search methods that are possible. - What are the particle sizes of the viruses described in the PDB archive? What are the sizes of the icosahedral virus particles (their diameters)? What are the distributions of these parameters? How it depends on the viral nucleic acid (n.r.) length/mass? What is the density of the n.a. packed in the virus capsid? Is it same for all viruses, do you notice any trends? - Is the density of the internal nucleic acid of the viral capsid similar to that of the protein globule density (find the value of this density in the literature)? Is he depends on whether the virus uses DNA or RNA; or nucleic acid single strand or double strand? Program: This study requires a program that reads PDB archive files, finds in them the matrices for the restoration of the biological particle, applies them atoms and determines the size of the particle. What matrices will you apply? What kind parameter or parameters you will use as the capsid size (parameters have be informative, on the one hand, but also easy to calculate, on the other hand)? For debugging and program verification purposes, you should provide an option to output all generated atoms in an appropriate format. Links: 1. Protein Data Bank. Introduction to Biological Assemblies and the PDB Archives. [viewed 02/25/2020] URL: https://pdb101.rcsb.org/learn/guide-to-understanding-pdb-data/biological-assemblies