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Pteros
2.0
Molecular modeling library for human beings!
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Cpteros::Atom | Class which represents a single atom |
Cpteros::AtomHandler | Auxilary type used to incapsulate the atom and its current coordinates Used internally in Selection::operator[] and in iterator access to Selection |
Cpteros::DataContainer | Auxiliary container for sending data to tasks |
Cpteros::DistanceSearchWithin | Class for within searching |
▼Cstd::exception | STL class |
▼Cstd::runtime_error | STL class |
Cpteros::PterosError | Represents an error in the Pteros code. Used for all Pteros-related exceptions |
▼Cpteros::FileHandler | Generic API for reading and writing any molecule file formats |
▼Cpteros::BabelWrapper | Generic API for reading and writing any molecule file formats |
Cpteros::Mol2File | Use VMD plugin for MOL2 |
Cpteros::GroFile | Reader for GRO files. It doesn't use VMD plugins because it doesn't support writing |
▼Cpteros::VmdMolfilePluginWrapper | Generic API for reading and writing any molecule file formats |
Cpteros::DcdFile | Generic API for reading and writing any molecule file formats |
Cpteros::PdbFile | Use VMD plugin for PDB |
Cpteros::TngFile | Use VMD plugin for TNG |
Cpteros::XyzFile | Generic API for reading and writing any molecule file formats |
Cpteros::ForceField | Force field parameters of the system |
Cpteros::Frame | Definition of single trajectory frame |
Cpteros::FrameInfo | Information about current frame, which is passed to Consumer for analysis along with the frame itself |
Cpteros::GNM | Implementation of the Gaussian Network Model (GNM) protein model |
Cpteros::Grid | Sorting the atoms from given selection into the cells of 3D grid with given dimensions |
Cpteros::Histogram | Simple histogram class |
Cpteros::Histogram2D | Simple 2D histogram class |
Cpteros::Selection::iterator | Random-access forward iterator for Selection |
Cpteros::Options | All options obtained from command line including nested options for tasks |
Cpteros::PeriodicBox | Class encapsulating all operations with arbitrary triclinic periodic boxes This class stores the periodic box itself and also contains pre-computed matrices for converting laboratory coordinates to the coordinates in triclinic basis and vice versa |
Cpteros::Selection | Selection class |
Cpteros::SelectionParser | Selection parser class |
Cpteros::System | The system of atoms |
Cpteros::TaskPlugin | Base class for plugins |
Cpteros::TrajectoryReader | The base class for trajectory processing It provides facilities for loading large trajectories by frames and to analyze each frame by user-defined function |