AtomUnit {SMRUCC.genomics.Data.RCSB.PDB.Keywords}

.NET clr documentation

AtomUnit

Description

the amino acid residue/atom model

This type is the keyword level view of the unified atom model: all of the field storages are moved into the base class Atom, and the legacy property names are kept here as the compatibility aliases, so that the existing consumers (AminoAcid.SequenceGenerator, PDB.MaxSpace/MinSpace, ...) do not need any change.

Declare

            
# namespace SMRUCC.genomics.Data.RCSB.PDB.Keywords
export class AtomUnit extends Atom {
   # 氨基酸的名称简写（残基名）
   AA_ID: string;
   # 当前的氨基酸分子在Fasta序列之中的残基位置
   AA_IDX: integer;
   AltLoc: string;
   # 原子名称（PDB 列 13-16）
   Atom: string;
   AtomName: string;
   ChainID: string;
   Charge: double;
   # 链标识符（PDB 列 22）
   ChianID: string;
   Element: string;
   # 原子序号（PDB 列 7-11）
   Index: integer;
   IsHet: boolean;
   IsWater: boolean;
   Location: Point3D;
   Occupancy: double;
   ResName: string;
   ResSeq: integer;
   Serial: integer;
   TempFactor: double;
   X: double;
   Y: double;
   Z: double;
}

        

.NET clr type reference tree

1. this class extends from Atom class: Atom
2. use by property member Location: Point3D

---