This reference guide shows the modules, classes and functions that make up the IMP API. It is targeted mainly at more advanced users and developers; for an introduction to IMP, see the manual.
To help find things we provide the following indexes:
An overview of some of the various modules currently available. Representative classes and functions are shown. Most modules are licensed under the LGPL, however some are licensed under the GPL due to dependencies. See the doc page for each module for details.
| Module | Representation | Scoring | Sampling | Analysis |
| IMP (kernel) | IMP::Particle, IMP::Model | IMP::Restraint, IMP::ScoringFunction, IMP::create_restraint() | IMP::Optimizer, IMP::Sampler | IMP::ConfigurationSet |
| IMP::algebra | IMP::algebra::VectorD, IMP::algebra::SphereD, IMP::algebra::GridD, IMP::algebra::Transformation3D... | | IMP::algebra::get_random_vector_on() | |
| IMP::statistics | IMP::statistics::Embedding, IMP::statistics::Metric | | | IMP::statistics::create_lloyds_kmeans(), IMP::statistics::create_connectivity_clustering(), IMP::statistics::HistogramD,... |
| IMP::display | IMP::display::Geometry | | | IMP::display::PymolWriter, IMP::display::WriteOptimizerState... |
| 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::MonteCarlo, IMP::core::ConjugateGradients | |
| IMP::atom | IMP::atom::Hierarchy, IMP::atom::Atom, IMP::atom::Residue, IMP::atom::Chain, IMP::atom::Bond, IMP::atom::read_pdb() | charmm_forcefield.py | IMP::atom::BrownianDynamics, IMP::atom::MolecularDynamics | IMP::atom::write_pdb(), IMP::atom::get_rmsd() |
| IMP::container | | IMP::container::SingletonsRestraint, IMP::container::PairsRestraint, IMP::container::ListSingletonContainer, IMP::container::ClosePairContainer, IMP::container::AllPairContainer, IMP::container::create_restraint(),... | | |
| IMP::rmf | IMP::rmf::create_restraints(), IMP::rmf::create_hierarchies(), IMP::rmf::create_geometries() | | | IMP::rmf::add_restraints(), IMP::rmf::add_hierarchies(), IMP::rmf::add_geometries() |
| IMP::em | IMP::em::DensityMap | IMP::em::FitRestraint | | |
| IMP::em2d | | IMP::em2d::Em2DRestraint | | |
| IMP::saxs | IMP::saxs::Profile | IMP::saxs::Restraint | | |
| IMP::gsl | | | IMP::gsl::Simplex, IMP::gsl::QuasiNewton | |
| IMP::domino | | | IMP::domino::DominoSampler, IMP::domino::BranchAndBoundSampler | |
| IMP::modeller | | Access to the Modeller scoring functions | | |
| IMP::isd | | IMP::isd::GaussianEMRestraint, IMP::isd::AtomicCrossLinkMSRestraint | | |
| IMP::pmi | IMP::pmi::topology, IMP::pmi::dof | IMP::pmi::restraints | IMP::pmi::macros::ReplicaExchange0 | IMP::pmi::analysis |
