International
Tables for Crystallography Volume F Crystallography of biological macromolecules Edited by M. G. Rossmann and E. Arnold © International Union of Crystallography 2006 |
International Tables for Crystallography (2006). Vol. F. ch. 25.2, p. 705
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Within the package, fractional atomic coordinates are used extensively, and the program is provided to convert from PDB (Protein Data Bank) to PHASES coordinate files and vice versa. The program prompts for input and output file names, the direction of the conversion, chain or residue ranges, and whether to reset occupancies and/or thermal factors to specified values. The coordinate ranges (both fractional and in PDB coordinates) spanned by the model are also listed.