HSQC_15N: Simulates H1-N15 HSQC spectra for a given entry or list of...

Description Usage Arguments Value See Also Examples

View source: R/RBMRB.R

Description

Simulates H1-N15 HSQC(Hetronuclear Single Quantum Coherence) spectra directly from BMRB database. Default plot type will be 'scatter'.Peaks from different spectra(entries) can be connected based on residue numbers by specifying plot type as 'line'. By default it will generate interactive graphics using plotly library

Usage

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HSQC_15N(idlist, type = "scatter", interactive = TRUE)

Arguments

idlist

list of bmrb ids in csv

type

scatter/line default=scatter

interactive

TRUE/FALSE default=TRUE

Value

R plot object

See Also

HSQC_13C and TOCSY

Examples

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plot_hsqc<-HSQC_15N(c(17074,17076,17077))
#simulates N15-HSQC spectra for the given 3 entreis
plot_hsqc<-HSQC_15N(18857,'line')
#simulates the N15-HSQC spectra from many chemical shift lists from a single entry
plot_hsqc<-HSQC_15N(c(17074,17076,17077),interactive=FALSE)
#example for non interactive plots

RBMRB documentation built on Jan. 30, 2018, 5:03 p.m.