 IMP | Base functionality and abstract base classes for representation, scoring and sampling |
  algebra | General purpose algebraic and geometric methods that are expected to be used by a wide variety of IMP modules |
  atom | Functionality for loading, creating, manipulating and scoring atomic structures |
  bayesianem | Restraints for handling electron microscopy maps |
  benchmark | Support for developing and analyzing benchmarks of IMP code |
  bff | Bayesian Fluorescence Framework |
   cli | Tools for handling RMF files |
   restraints | Restraints |
   spectroscopy | Handling of spectroscopy data |
   tools | Utility functions |
  cgal | Make CGAL functionality available to IMP |
  cnmultifit | Generate cyclic atomic structures using cryo-electron microscopy data |
  container | Various classes to hold sets of particles |
  core | Basic functionality that is expected to be used by a wide variety of IMP users |
  display | Output IMP model data in various file formats |
  domino | Divide-and-conquer inferential optimization in discrete space |
  em | Basic utilities for handling cryo-electron microscopy 3D density maps |
  em2d | Restraints using electron microscopy 2D images (class averages) |
  EMageFit | Build assembly models consistent with EM images (class averages) |
   argminmax | Utility functions to extract min/max from the inputs |
   buildxlinks | Utility functions to handle cross links |
   csv_related | Utility functions to handle CSV files |
   database | Utility functions to manage SQL databases with sqlite3 |
   domino_model | Classes to manage a model using DOMINO |
   imp_general | Utility functions that are supposedly not EMageFit-specific |
    alignments | Utility functions to handle alignments |
    comparisons | Utility functions for comparisons |
    io | Utility functions to handle IO |
    movement | Utility functions to handle movement |
    representation | Utility functions to handle representation |
   monte_carlo | Classes for Monte Carlo sampling using rigid body relative moves |
   restraints | Utility functions to handle restraints |
   sampling | Utility functions to handle sampling |
   solutions_io | Utility functions to store and retrieve solution information |
   utility | Utility functions |
  example | Example module |
  foxs | Determine small angle X-ray (SAXS) profiles |
  gsl | Several general purpose optimizers from the GNU Scientific Library (GSL) |
  integrative_docking | Pairwise docking incorporating additional data |
  isd | Inferential scoring building on methods developed as part of the Inferential Structure Determination software (ISD) |
   Entry | Classes to handle ISD statistics files |
   gmm_tools | Tools for handling Gaussian Mixture Models |
   History | Classes to store output from replicas |
   TALOSReader | Classes to handle TALOS files or folders |
   TBLReader | Classes to handle TBL files |
   utils | Miscellaneous utilities |
  kinematics | Functionality for dealing with kinematic mechanical structures |
  kmeans | Interface to the GPL k-means clustering library |
  misc | Miscellaneous functionality that is not expected to be used by many IMP users |
  mmcif | Support for output of models in mmCIF format |
   data | Classes to represent data structures used in mmCIF |
   metadata | Classes to extract metadata for various input files |
   restraint | Map IMP restraints to mmCIF categories |
   util | Utility functions for IMP.mmcif |
  modeller | Interface to the Modeller comparative modeling package |
  mpi | Code that uses the MPI parallel library |
  multi_state | Functionality for handling multi-state models |
  multifit | Fitting atomic structures into a cryo-electron microscopy density map |
  nestor | Nested sampling-based optimization of representation |
   compare_runs_v2_w_pyplot | Plotting script to compare NestOR runs |
   wrapper_v6 | Top-level NestOR script |
   xl_datasplitter | Script to split a CSV file for use in nested sampling |
  npc | Restraints designed for modeling the Nuclear Pore Complex (NPC) |
  npctransport | Simulation of transport through the Nuclear Pore Complex |
  parallel | Distribute IMP tasks to multiple processors or machines |
   manager_communicator | Classes for communicating from the manager to workers |
   subproc | Subprocess handling |
   util | Utilities for the IMP.parallel module |
  pepdock | Initial peptide docking |
  pmi | Python classes to represent, score, sample and analyze models |
   alphabets | Mapping between FASTA one-letter codes and residue types |
   analysis | Tools for clustering and cluster analysis |
   dof | Create movers and set up constraints for PMI objects |
   io | Utility classes and functions for reading and storing PMI files |
    crosslink | Handles cross-link data sets |
   macros | Protocols for sampling structures and analyzing them |
   mmcif | Support for the mmCIF file format |
   output | Classes for writing output files and processing them |
   restraints | Classes to handle different kinds of restraints |
    basic | Some miscellaneous simple restraints |
    crosslinking | Restraints for handling cross-linking data |
    em | Restraints for handling electron microscopy maps |
    em2d | Restraints for handling electron microscopy images |
    npc | Specialized restraints for modeling the Nuclear Pore Complex |
    parameters | Restraints for parameters |
    proteomics | Restraints for handling various kinds of proteomics data |
    saxs | Restraints for handling small angle x-ray (SAXS) data |
    stereochemistry | Restraints for keeping correct stereochemistry |
   samplers | Sampling of the system |
   tools | Miscellaneous utilities |
   topology | Set of Python classes to create a multi-state, multi-resolution IMP hierarchy |
  rmf | Support for the RMF file format for storing hierarchical molecular data and markup |
  rotamer | Sampling of sidechain rotamers |
  sampcon | Sampling exhaustiveness protocol |
   clustering_rmsd | Utilities to cluster and calculate RMSD and precision |
   good_scoring_model_selector | Select good-scoring models based on scores and/or data satisfaction |
   precision_rmsd | Calculation of precision and RMSD |
   rmsd_calculation | Utilities to help with RMSD calculation |
   scores_convergence | Utilities to manage distributions of scores |
  saxs | Support for small angle X-ray scattering (SAXS) data |
  saxs_merge | A method for merging SAXS profiles using Gaussian processes |
  score_functor | Composable functors to implement scores via compile-time composition |
  scratch | A space to add temporary classes while experimenting without forcing you to create your own module |
  spatiotemporal | Spatialtemporal scoring in IMP |
   analysis | Functions to analyze spatiotemporal models |
   composition_scoring | Functions for weighting graphNode objects based on stoichiometry data |
   create_DAG | Simplified function for creating a spatiotemporal model |
   graphNode | Defines the graphNode class |
   prepare_protein_library | Function for preparing spatiotemporal models for sampling |
   score_graph | Functions to traverse and score the spatiotemporal graphs |
   write_output | Functions to write spatiotemporal graph information to files |
  spb | Classes, functions and executables for modeling of the Spindle Pole Body |
  statistics | Code to compute statistical measures |
  symmetry | Support for basic symmetry, such as periodic boundary conditions (PBC) |
  test | Support for running tests of IMP functionality |
 IMP_npctransport | |