| /dports/science/gromacs/gromacs-2021.4/src/gromacs/topology/ |
| H A D | residuetypes.cpp | 68 std::string residueName; member
115 …ResidueEntryWithName(gmx::ArrayRef<const ResidueTypeEntry> entries, const std::string& residueName) in findResidueEntryWithName()
124 bool ResidueType::nameIndexedInResidueTypes(const std::string& residueName) in nameIndexedInResidueTypes()
129 void ResidueType::addResidue(const std::string& residueName, const std::string& residueType) in addResidue()
147 bool ResidueType::namedResidueHasType(const std::string& residueName, const std::string& residueTyp… in namedResidueHasType()
177 std::string ResidueType::typeOfNamedDatabaseResidue(const std::string& residueName) in typeOfNamedDatabaseResidue()
183 …tional<std::string> ResidueType::optionalTypeOfNamedDatabaseResidue(const std::string& residueName) in optionalTypeOfNamedDatabaseResidue()
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| H A D | atomprop.cpp | 84 std::string residueName; member
165 const std::string& residueName, in findPropertyIndex()
233 const std::string& residueName, in addProperty()
376 const std::string& residueName, in setAtomProperty()
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| H A D | mtop_lookup.h | 206 const char** residueName, in mtopGetAtomAndResidueName()
250 const char** residueName, in mtopGetAtomAndResidueName()
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| /dports/science/gabedit/GabeditSrc251_300720/src/MolecularMechanics/ |
| H A D | PDBTemplate.c | 112 static gint getResiduePDBTplNumber(gchar* residueName) in getResiduePDBTplNumber()
146 gchar* getMMTypeFromPDBTpl(gchar* residueName,gchar* pdbType,gdouble* charge) in getMMTypeFromPDBTpl()
205 gint getHydrogensFromPDBTpl(gchar* residueName,gchar* pdbType, gchar** hAtoms) in getHydrogensFromPDBTpl()
267 gchar** getListPDBTypes(gchar* residueName, gint* nlist) in getListPDBTypes()
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| H A D | PDBTemplate.h | 19 gchar* residueName; member
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| H A D | Atom.h | 29 gchar* residueName; member
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| /dports/science/gromacs/gromacs-2021.4/api/nblib/ |
| H A D | molecules.cpp | 63 const ResidueName& residueName, in addParticle()
92 const ResidueName& residueName, in addParticle()
116 ResidueName Molecule::residueName(const ParticleIdentifier& particleIdentifier) in residueName() function in nblib::Molecule
241 ResidueName Molecule::residueName(int i) const in residueName() function in nblib::Molecule
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| H A D | molecules.h | 95 ParticleIdentifier(ParticleName particleName, ResidueName residueName) : in ParticleIdentifier()
102 [[nodiscard]] const ResidueName& residueName() const { return residueName_; } in residueName() function
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| H A D | particlesequencer.cpp | 56 const ResidueName& residueName, in operator ()()
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| H A D | sequencing.hpp | 205 const ParticleName& particleName) { in sequenceIDs()
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| H A D | topology.cpp | 305 int Topology::sequenceID(MoleculeName moleculeName, int moleculeNr, ResidueName residueName, Partic… in sequenceID()
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| /dports/science/avogadrolibs/avogadrolibs-1.94.0/avogadro/core/ |
| H A D | residue.h | 58 inline std::string residueName() { return m_residueName; } in residueName() function
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| /dports/science/py-avogadrolibs/avogadrolibs-1.94.0/avogadro/core/ |
| H A D | residue.h | 58 inline std::string residueName() { return m_residueName; } in residueName() function
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| /dports/science/apbs/apbs-pdb2pqr-apbs-1.5-102-g500c1473/apbs/externals/fetk/gamer/src/biom/ |
| H A D | PDB2Volume.h | 42 char residueName[4]; member
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| H A D | ReadPDB.C | 43 char residueName[4]; member
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| /dports/biology/ugene/ugene-40.1/src/plugins/CoreTests/src/ |
| H A D | BioStruct3DObjectTests.h | 85 QString residueName; variable
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| /dports/science/gabedit/GabeditSrc251_300720/src/SemiEmpirical/ |
| H A D | AtomSE.h | 29 gchar* residueName; member
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| /dports/science/py-avogadrolibs/avogadrolibs-1.94.0/avogadro/io/ |
| H A D | pdbformat.cpp | 68 string residueName = lexicalCast<string>(buffer.substr(17, 3), ok); in read() local
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| H A D | gromacsformat.cpp | 139 string residueName = lexicalCast<string>(buffer.substr(5, 5), ok); in read() local
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| /dports/science/avogadrolibs/avogadrolibs-1.94.0/avogadro/io/ |
| H A D | pdbformat.cpp | 68 string residueName = lexicalCast<string>(buffer.substr(17, 3), ok); in read() local
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| H A D | gromacsformat.cpp | 139 string residueName = lexicalCast<string>(buffer.substr(5, 5), ok); in read() local
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| /dports/science/gabedit/GabeditSrc251_300720/src/Crystallography/ |
| H A D | Crystallo.h | 14 gchar residueName[10]; member
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| /dports/science/gabedit/GabeditSrc251_300720/utils/MolecularMechanics/ |
| H A D | createTPLfile.c | 129 void printTPLResidue(FILE* file,char* residueName) in printTPLResidue()
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| /dports/science/cdk/cdk-cdk-2.3/storage/pdb/src/main/java/org/openscience/cdk/io/ |
| H A D | PDBWriter.java | 186 String residueName = (id == null || id.equals("")) ? "MOL" : id; in writeMolecule() local
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| /dports/biology/protomol/protomol/framework/base/ |
| H A D | PDB.h | 49 std::string residueName; ///< residue_name member
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