Abstract
ILMILIONE is a suite of computer programs devoted to crystal structure solution. It is able to solve crystal structures in the following cases: a) ab initio for small, medium size crystal structures and proteins (SIR2006). Early figures of merit rank the trial phase sets provided by Patterson Methods or Direct Methods; phase extension and refinement has been powered allowing to solve protein structures even if data have quasi-atomic resolution (1.4-1.5A). b) SIR-MIR, SIRAS-MIRAS, SAD-MAD data. The program automatically performs the following steps: the structure factor moduli of the substructure constituted by heavy/anomalous scatterers are evaluated, the substructure is located and such information is used to phase protein reflections c) Molecular Replacement (REMO). An atomic model is oriented and positioned in the protein cell by exploting experimental reflection moduli at limited resolution. Finally phases are improved via densitymodification techniques. All the programs are integrated and controlled by means of a friendly GUI used both to provide input data and to monitor run and results bymeans of (real time updated) diagrams, histograms etc. ILMILIONEwill be available, in executable format, for Linux and Windows systems. m32.p04
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