subcomplex.combos: Generate PDB files for complex components

In jweile/mavevis: Visualization for MaveDB

Generate PDB files for complex components

Description

This function finds the component chains of a given PDB structure and generates new PDB files for any desired set of combinations of these components

Usage

subcomplex.combos(pdb.file, chain.sets)

Arguments

pdb.file	the input PDB file for the complex
chain.sets	a list of character vectors, detailing the combinations of chains to produce. E.g. list("A",c("A","B"),c("A","C")) produces one file for chain A, one for the combination of chains A and B, and one for the combination of chains A and C.

Value

a vector of file names corresponding to the elements of chain.sets

Examples

## Not run: 
subcplx.files <- sub.complex.combos("3UIP.pdb",chain.sets=list("A",c("A","B"),c("A","C")))

## End(Not run)

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