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 |
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 |
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 |
pmi1 | Legacy PMI1 module to represent, score, sample and analyze models |
analysis | Tools for clustering and cluster analysis |
io | Utility classes and functions for reading and storing PMI files |
crosslink | Handles cross-link data sets |
utilities | Utility classes and functions for IO |
xltable | Tools to plot a contact map overlaid with cross-links |
macros | Protocols for sampling structures and analyzing them |
metadata | Classes for attaching metadata to PMI objects |
mmcif | Support for the mmCIF file format |
nonmaintained | Nonmaintained code |
output | Classes for writing output files and processing them |
representation | Representation of the system |
restraints | Classes to handle different kinds of restraints |
basic | Some miscellaneous simple restraints |
crosslinking | Restraints for handling crosslinking data |
crosslinking_new | Restraints for handling crosslinking 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 |
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 | |