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Searched defs:PDBAtom (Results 1 – 4 of 4) sorted by relevance

/dports/biology/protomol/protomol/framework/base/
H A DPDB.h24 struct PDBAtom{ struct
46 int elementNum; ///< serial_size
47 std::string elementName; ///< atom_name
48 std::string altLoc; ///< alternate_location
50 std::string chainID; ///< chain_id
56 Real occupancy; ///< occupancy
59 std::string segID; ///< seg_id
60 std::string symbol; ///< element_symbol
61 std::string charge; ///< charge
65 enum Start{
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H A DPDB.cpp7 PDB::PDBAtom::PDBAtom():elementType(""), in PDBAtom() function in ProtoMol::PDB::PDBAtom
25 PDB::PDBAtom::PDBAtom(std::string etype, in PDBAtom() function in ProtoMol::PDB::PDBAtom
/dports/science/cdk/cdk-cdk-2.3/base/data/src/main/java/org/openscience/cdk/protein/data/
H A DPDBAtom.java41 public class PDBAtom extends Atom implements Cloneable, IPDBAtom { class
71 public PDBAtom(IElement element) { in PDBAtom() method in PDBAtom
81 public PDBAtom(String symbol) { in PDBAtom() method in PDBAtom
92 public PDBAtom(String symbol, Point3d coordinate) { in PDBAtom() method in PDBAtom
/dports/science/cdk/cdk-cdk-2.3/base/silent/src/main/java/org/openscience/cdk/silent/
H A DPDBAtom.java40 public class PDBAtom extends Atom implements Cloneable, IPDBAtom { class
70 public PDBAtom(IElement element) { in PDBAtom() method in PDBAtom
80 public PDBAtom(String symbol) { in PDBAtom() method in PDBAtom
91 public PDBAtom(String symbol, Point3d coordinate) { in PDBAtom() method in PDBAtom