new.structure: Create new Structure object

In jweile/mavevis: Visualization for MaveDB

Create new Structure object

Description

Constructor for a PDB structure object.

Usage

new.structure(pdb.file)

Arguments

pdb.file

The PDB structure file to use

Details

The resulting object offers the following methods:

• get.sequence(chain) Returns the amino acid sequence of the given chain

• get.aa(chain,pos) Returns a data.frame with the atomic information for the amino acid determined by the given chain and position.

• get.chains() Returns a vector detailing the chain indentifiers in the structure

• get.atom(chain,pos,name) Returns the atomic information associated with the given chain, amino acid position, and atom name.

• subcomplex.combos(chain) !Deprecated! Does not work with NMR structures

• get.chain.info() Returns a dataframe listing which chain corresponds to which protein.

Value

a PDB structure object

jweile/mavevis documentation built on Oct. 30, 2023, 7:16 a.m.