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[en] Wide-angle X-ray scattering (WAXS) is a powerful tool that can be used to gain information on the structure and dynamics of proteins and other biomolecules in solution. Improved methods for the calculation of WAXS patterns from available or putative protein models allow to better exploit the structural information contained in the experimental data. These methods, together with recent applications of static and time-resolved WAXS, are briefly reviewed.
[en] Proteinoid Microspheres are stable hollow spheres in the range of 5 fm diameter. Their stability is discussed in terms of macroscopic energies. It is shown that the bulk and surface energy contributions alone cannot lead to stable microspheres. If electrostatic energy, due to transmembrane voltage, is taken into account, stable hollow spheres are proved to exist. For several reasons, however, this should not be regarded as the ultimate explanation of microsphere stability. (author). Abstract only
[en] This paper describes a Python script that may be used to gather all required structure-annotation information into an mmCIF file for upload through the RCSB PDB ADIT structure-deposition interface. Almost all successful protein structure-determination projects in the public sector culminate in a structure deposition to the Protein Data Bank (PDB). In order to expedite the deposition proces, Deposit3D has been developed. This command-line script calculates or gathers all the required structure-deposition information and outputs this data into a mmCIF file for subsequent upload through the RCSB PDB ADIT interface. Deposit3D might be particularly useful for structural genomics pipeline projects because it allows workers involved with various stages of a structure-determination project to pool their different categories of annotation information before starting a deposition session