Situs is an award-winning program package for the modeling of atomic resolution structures into low-resolution density maps e.g. from electron microscopy, tomography, or small angle X-ray scattering. The software supports both rigid-body and flexible docking using a variety of fitting strategies. Situs is developed by Willy Wriggers and collaborators:

This software is distributed free of charge under the GNU GPL license and includes the C/C++ source code, an implementation of the FFTW library, online tutorials, and documentation. The development is supported by NIH.

The name of the package was derived from the botanical term for the arrangement of the parts of a plant:

Situs, n. [L., situation.] (Bot.) The method in which the parts of a plant are arranged; also, the position of the parts. --Henslow.

We provide a number of advanced docking tools for a variety of fitting scenarios, including rigid-body fitting and flexible fitting (see Methodology). The software consists of individual, stand-alone programs for format conversion, analysis, visualization, manipulation, vector quantization, and docking of 3D data sets. Each program is self-explanatory as the user is asked to enter all relevant information in a terminal window in a UNIX, MacOS X, or Windows workstation. The modular design of the package allows the user to maintain flexibility in its application. The documented source code written in C and C++ can be ported to a variety of architectures. File names are passed as arguments to the programs of the distribution:

program [input files] [output files]
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