Using command line tools

IMP provides a number of programs to solve common modeling problems. These are all designed to be run from a command line (such as a terminal window). They do not have the flexibility of the full IMP library, but are designed to be much easier to use, and do not require any programming knowledge. In many cases, web interfaces to the same functionality are also available.

Below, a number of the more commonly-used tools will be demonstrated with worked examples. There is a full list of all such programs in the Reference Guide.

• FoXS: fitting structures against SAXS data
• MultiFoXS: determination of multi-state models
• Integrative docking: combining experimental data with computational pairwise docking
• Conformational sampling: sampling antibody conformations using the rapidly exploring random tree (RRT) algorithm
• EMageFit: solution of a complex structure using subunit structures and EM class averages
• MultiFit: solution of a complex structure using subunit structures and a cryo-EM density map
• CNMultiFit: solution of symmetric complexes using a cryo-EM density map
• SAXSMerge: merging multiple SAXS profiles