Clipper contributed packages.

The Clipper 'contrib' package is a collection of method objects which are not part of the core data storage and manipulation process, but which implement common crystallographic tasks.

Many of these tasks can be performed in a variety of ways. For example, a structure factor calculation can be performed by direct summation, or by density calculation and FFT. An application may wish to switch between these. Therefore, an abstract base class is defined for each type of task, which defines the interface. Actual implementations are derived from the base class, differing only in their constructors. These may then be used interchangeably.

To find the documentation for a particular implementation, select the base class in which you are interested, and then pick the appropriate implementation from its derived classes.

Structure factor calculation from coordinates:

• clipper::SFcalc_base< T >
  • clipper::SFcalc_iso_sum< T >
  • clipper::SFcalc_aniso_sum< T >
  • clipper::SFcalc_iso_fft< T >
  • clipper::SFcalc_aniso_fft< T >

Structure factor calculation against Fo from coordinates:

• clipper::SFcalc_obs_base< T >
  • clipper::SFcalc_obs_bulk< T >

Structure factor weighting (sigmaa):

• clipper::SFweight_base< T >
  • clipper::SFweight_spline< T >

Electron density calculation, mask calculation from coordinates:

• clipper::EDcalc_base< T >
  • clipper::EDcalc_iso< T >
  • clipper::EDcalc_aniso< T >

Map filtering (e.g. for solvent mask estimation from density):

• clipper::MapFilter_base< T >
  • clipper::MapFilter_slow< T >
  • clipper::MapFilter_fft< T >
• See also the filter functions, clipper::MapFilterFn_step, clipper::MapFilterFn_linear, clipper::MapFilterFn_quadratic

Fragment searching:

• clipper::FFFear_base< T >
  • clipper::FFFear_slow< T >
  • clipper::FFFear_fft< T >

Origin matching:

• clipper::OriginMatch_base< T >
  • clipper::OriginMatch< T >

Skeletonisation:

• clipper::Skeleton_base< T1, T2 >
  • clipper::Skeleton_basic