struct2pdb: Convert structure to pdb object

In SOMMD: Self Organising Maps for the Analysis of Molecular Dynamics Data

Convert structure to pdb object

Description

Convert a struct object into a pdb obtect

Usage

struct2pdb(struct)

Arguments

struct

contains the struct object to convert

Value

Returns an object with class "pdb"

An object of class "pdb"

Author(s)

Stefano Motta [e-mail]

Examples

# Read structure file 
struct <- read.struct(system.file("extdata", "HIF2a.gro", package = "SOMMD"))
#Convert structure to pdb object
pdb <- struct2pdb(struct)

SOMMD documentation built on Oct. 2, 2024, 5:07 p.m.