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Practical aspects in the integration of different softwares in protein structure solution

Vito Calderone
Dept. of Chemistry, University of Siena
Via Aldo Moro 1, 53100 Siena, Italy

There is nowadays an increasing variety of choice in the software of choice for phasing and automated model building. Apart from the positive side, this poses the problem of what software to use in a specific crystallographic case. Moreover, one should decide if a sequence of programs should be used to achieve structure solution more accurately and faster, judging on the fine features of the different programs themselves. The “integrated” choice of different software has become popular among crystallographers, especially when facing crystallographic cases which are not straightforward. A couple of examples will be presented on the use of different programs to achieve the goal of structure solution and the associated practicalities, which can make the difference between solving and not solving a structure.