/** \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
Not listed are - IMP::algebra that provides basic geometric and mathematical types and operations - IMP::benchmark that provides benchmarks of various usages of other modules */