/** \mainpage IMP Documentation - \ref installation "Getting started" - \ref introduction "Introduction" - \ref devguide "Developers' guide" . - \ref examples "Examples" - \wiki{FAQ, FAQ} - \salilabssl{imp/bugs/,Bug Tracker} - \ref recent "Change history" - \salilab{imp/nightly/tests.html,Nightly build status} - \ref maillists "Mailing lists" Welcome to the \imp library documentation. Throughout the documentation we refer to two, overlapping sets of people. - users write python scripts to use existing \imp functionality - developers develop new methods for scoring, sampling or representation, and hopefully contribute them back to \imp central Various pieces of documentation are marked as being intended for developers. An overview of the various modules currently available. Representative classes and functions are shown.
Module | Representation | Scoring | Sampling | Analysis |
IMP | IMP::Particle | IMP::Restraint | IMP::Optimizer, IMP::Sampler | \ref model_text_io "IMP::write_model(), IMP::read_model()", \ref model_binary_io "IMP::write_binary_model(), IMP::read_binary_model()" |
IMP::core | IMP::core::XYZ, IMP::core::XYZR, IMP::core::RigidBody | IMP::core::DistancePairScore, IMP::core::ExcludedVolumeRestraint, IMP::core::AngleTripletScore and other scoring based on distances, angles, volume | IMP::core::MCCGSampler, IMP::core::MonteCarlo, IMP::core::ConjugateGradients | |
IMP::atom | IMP::atom::Hierarchy, IMP::atom::Atom, IMP::atom::Residue, IMP::atom::Chain, IMP::atom::Bond, \ref pdb_in "IMP::atom::read_pdb()"... | \ref charmm_forcefield "Charmm force-field based scoring" | IMP::atom::BrownianDynamics, IMP::atom::MolecularDynamics | \ref pdb_out "IMP::atom::write_pdb()" |
IMP::container | IMP::container::SingletonsRestraint, IMP::container::PairsRestraint, IMP::container::ListSingletonContainer, IMP::container::ClosePairContainer, IMP::container::AllPairContainer... | |||
IMP::statistics | IMP::statistics::get_lloyds_kmeans(), IMP::statistics::get_connectivity_clustering() | |||
IMP::em | IMP::em::FitRestraint | |||
IMP::saxs | IMP::saxs::Restraint | |||
IMP::gsl | IMP::gsl::Simplex, IMP::gsl::QuasiNewton | |||
IMP::domino2 | IMP::domino2::DominoSampler, IMP::domino2::BranchAndBoundSampler | |||
IMP::display | IMP::display::PymolWriter, IMP::display::ChimeraWriter, IMP::display::LogOptimizerState... | |||
IMP::restrainer | proteins as rigid bodies or a collection of balls | Yeast-2-hybrid, EM density maps | ||
IMP::modeller | Access to the Modeller scoring functions |