Backbone structure of the infectious Epsilon15 virus capsid revealed by electron cryomicroscopy
Year: 2008
Type: article
Abstract: The library CrysFML is a set of Fortran 95 modules to be used in crystallographic and diffraction computing programs [1].The purpose of the library is identical to that of CCSL [2], the main difference is in their structure and in the underlying language dialect.In CrysFML modern array syntax and new features of Fortran 95 are used throughout the modules.All object oriented programming techniques already available in Fortran (user-defined types, encapsulation, overload of procedures and functions) are extensively used.Mathematical methods, string utilities, parsing of commands, diffraction data structures, diffraction geometries, all aspects of symmetry and handling of reflections and structure factor calculations are treated in dedicated modules.We shall present an overview of the present status of the library and an example, useful for crystal structure determination using direct space methods, in which the combination of multi-configurational simulated annealing with local optimization will be described.
Authors: W. Jiang, M.L. Baker, J. Jakata, P.R. Weigele, J. King, W. Chiu
Institution: Universidad de La Laguna
Language: English
Subfield: Materials Chemistry
Field: Materials Science
Domain: Physical Sciences
Open Access status: bronze
OpenAlex ID: W2333913491