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IMP Reference Guide  2.20.0
The Integrative Modeling Platform
npctransport.h
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1 /**
2  * \file IMP/npctransport.h
3  * \brief Include all non-deprecated headers in IMP.npctransport.
4  *
5  * Copyright 2007-2023 IMP Inventors. All rights reserved.
6  */
7 
8 #ifndef IMP_NPCTRANSPORT_H
9 #define IMP_NPCTRANSPORT_H
12 #include <IMP/npctransport/AvroDataFileData.h>
42 #include <IMP/npctransport/avro.h>
43 #include <IMP/npctransport/enums.h>
48 #include <IMP/npctransport/io.h>
50 #include <IMP/npctransport/main.h>
56 #include <IMP/npctransport/util.h>
57 #endif /* IMP_NPCTRANSPORT_H */
A decorator for a particle that's a slab with a toroidal pore.
a spring between two diffusing particles whose resting length is relaxing towards some equilibrium va...
a score for a slab with a toroidal pore
A decorator for a transporting particle, so as to keep track of its directionality.
scoring associated with a SimulationData object
score that biases particles to go down the Z axis
useful enums and constants
Track the rotational correlation time of a rigid body particle.
statistics and order parameters about the simulations that is associated with a SimulationData object...
A Score on the distance between a pair of particles.
A Score on the distance between a pair of particles.
creating TAMD chains
Helper functions for executable .cpp files.
an iterator that reads npctransport protobuf output files one by one from a list of avro files (used ...
a score on the pore radius equilibrium value of a slab particle
description
A Score on the distance between a pair of particles.
A decorator for a particle that's a slab with a cylindrical pore.
utility methods for npctransport
description
Geometry of sites on particle surfaces.
description
Typedefs for the functor scores on the distance between a pair of particles.
Harmonic scores on the distance between a pair of particles.
Harmonic scores on the spring between a pair of particles. The spring resting length is dynamic Copyr...
description
Simple molecular dynamics optimizer.
A decorator for a particle that's a slab with a cylindrical pore.
A Score on the distance between a pair of particles.
description
A summary of useful information about rigid bodies and their transformation for eg, caching purposes for SitesPairScore.
A chore for anchoring a bead to a pore.
Randomizing particles in a bounding volume.
forward declaration of incomplete protobuf files for the main data structures used ...