Gromacs
2023-beta
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#include "gmxpre.h"
#include "dssp.h"
#include <algorithm>
#include <set>
#include "gromacs/analysisdata/analysisdata.h"
#include "gromacs/analysisdata/modules/average.h"
#include "gromacs/analysisdata/modules/plot.h"
#include "gromacs/fileio/gmxfio.h"
#include "gromacs/fileio/pdbio.h"
#include "gromacs/math/units.h"
#include "gromacs/math/vec.h"
#include "gromacs/options/basicoptions.h"
#include "gromacs/options/filenameoption.h"
#include "gromacs/options/ioptionscontainer.h"
#include "gromacs/pbcutil/pbc.h"
#include "gromacs/selection/nbsearch.h"
#include "gromacs/selection/selection.h"
#include "gromacs/selection/selectionoption.h"
#include "gromacs/trajectory/trajectoryframe.h"
#include "gromacs/trajectoryanalysis/analysismodule.h"
#include "gromacs/trajectoryanalysis/analysissettings.h"
#include "gromacs/trajectoryanalysis/topologyinformation.h"
#include "gromacs/utility/pleasecite.h"
#include "gromacs/utility/smalloc.h"
#include "gromacs/utility/stringutil.h"
Implements gmx::analysismodules::Dssp.
Classes | |
class | gmx::analysismodules::anonymous_namespace{dssp.cpp}::BackboneAtomIndexes |
Class for backbone Atoms. More... | |
Enumerations | |
enum | gmx::analysismodules::anonymous_namespace{dssp.cpp}::BackboneAtomTypes : size_t { AtomCA = 0, AtomC = 1, AtomO = 2, AtomN = 3, AtomH = 4, Count } |
BackBone atom types. | |
Variables | |
const gmx::EnumerationArray < BackboneAtomTypes, const char * > | gmx::analysismodules::anonymous_namespace{dssp.cpp}::BackboneAtomTypeNames |
String values corresponding to backbone atom types. More... | |