Interface PrmtopFile

Hierarchy

PrmtopFile

Index

Properties

Properties

Readonly atomName

atomName: Column<string>

Readonly bondsIncHydrogen

bondsIncHydrogen: Column<number>

Readonly bondsWithoutHydrogen

bondsWithoutHydrogen: Column<number>

Readonly charge

charge: Column<number>

Readonly mass

mass: Column<number>

Readonly pointers

pointers: Readonly<Record<"NATOM" | "NTYPES" | "NBONH" | "MBONA" | "NTHETH" | "MTHETA" | "NPHIH" | "MPHIA" | "NHPARM" | "NPARM" | "NNB" | "NRES" | "NBONA" | "NTHETA" | "NPHIA" | "NUMBND" | "NUMANG" | "NPTRA" | "NATYP" | "NPHB" | "IFPERT" | "NBPER" | "NGPER" | "NDPER" | "MBPER" | "MGPER" | "MDPER" | "IFBOX" | "NMXRS" | "IFCAP" | "NUMEXTRA" | "NCOPY", number>>

Readonly radii

radii: Column<number>

Readonly residueLabel

residueLabel: Column<string>

Readonly residuePointer

residuePointer: Column<number>

Readonly title

title: readonly string[]

Readonly version

version: string

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