Type: | Package |
Title: | Small Molecule Octet/BLI Kinetics Experiment |
Version: | 2.0.1 |
Date: | 2024-03-11 |
Author: | Qingan Sun, Xiaojun Li, James C Sacchettini |
Maintainer: | Qingan Sun <quinsun@gmail.com> |
Description: | Bio-Layer Interferometry (BLI) is a technology to determine the binding kinetics between biomolecules. BLI signals are small and noisy when small molecules are investigated as ligands (analytes). We develop this package to process and analyze the BLI data acquired on Octet Red96 from Fortebio more accurately. Sun Q., Li X., et al (2020) <doi:10.1038/s41467-019-14238-3>. In this new version, we organize the BLI experiment data and analysis methods into a S4 class with self-explaining structure. |
License: | GPL-2 | GPL-3 |
Depends: | R (≥ 3.5.0),methods,graphics, grDevices, stats, utils |
Imports: | Rdpack |
RdMacros: | Rdpack |
LazyData: | true |
NeedsCompilation: | no |
Packaged: | 2024-03-10 02:43:02 UTC; qingansun |
Repository: | CRAN |
Date/Publication: | 2024-03-10 15:30:02 UTC |
Small Molecule Octet/BLI Kinetics Experiment
Description
Bio-Layer Interferometry (BLI) is a technology to determine the binding kinetics between biomolecules. BLI signals are small and noisy when small molecules are investigated as ligands (analytes). We develop this package to process and analyze the BLI data acquired on Octet Red96 from Fortebio more accurately. Sun Q., Li X., et al (2020) <doi:10.1038/s41467-019-14238-3>. In this new version, we organize the BLI experiment data and analysis methods into a S4 class with self-explaining structure.
Details
The DESCRIPTION file:
Package: | smoke |
Type: | Package |
Title: | Small Molecule Octet/BLI Kinetics Experiment |
Version: | 2.0.1 |
Date: | 2024-03-11 |
Author: | Qingan Sun, Xiaojun Li, James C Sacchettini |
Maintainer: | Qingan Sun <quinsun@gmail.com> |
Description: | Bio-Layer Interferometry (BLI) is a technology to determine the binding kinetics between biomolecules. BLI signals are small and noisy when small molecules are investigated as ligands (analytes). We develop this package to process and analyze the BLI data acquired on Octet Red96 from Fortebio more accurately. Sun Q., Li X., et al (2020) <doi:10.1038/s41467-019-14238-3>. In this new version, we organize the BLI experiment data and analysis methods into a S4 class with self-explaining structure. |
License: | GPL-2 | GPL-3 |
Depends: | R (>= 3.5.0),methods,graphics, grDevices, stats, utils |
Imports: | Rdpack |
RdMacros: | Rdpack |
LazyData: | true |
Index of help topics:
Bli Constructor of "Bli" class Bli-class Class '"Bli"' alignLoad Align BLI traces with loading step alignLoad-methods ~~ Methods for Function 'alignLoad' ~~ baseline Align BLI traces with baseline step baseline-methods ~~ Methods for Function 'baseline' ~~ bli BLI data example doubleBlank Substract the double-references doubleBlank-methods ~~ Methods for Function 'doubleBlank' ~~ estimate Estimate initial kinetic parameters estimate-methods ~~ Methods for Function 'estimate' ~~ fitKinetics Fit binding kinetics fitKinetics-methods ~~ Methods for Function 'fitKinetics' ~~ initialize-methods ~~ Methods for Function 'initialize' ~~ kOff0 Getter for "Bli" slot of 'kOff0' kOff0-methods ~~ Methods for Function 'kOff0' ~~ kOff0<- Setter for "Bli" slot of 'kOff0' kOff0<--methods ~~ Methods for Function 'kOff0<-' ~~ kOn0 Getter for "Bli" slot of 'kOn0' kOn0-methods ~~ Methods for Function 'kOn0' ~~ kOn0<- Setter for "Bli" slot of 'kOn0' kOn0<--methods ~~ Methods for Function 'kOn0<-' ~~ kinetics Output kinetics model kinetics-methods ~~ Methods for Function 'kinetics' ~~ ligand Getter for "Bli" slot of ligand concentration ligand-methods ~~ Methods for Function 'ligand' ~~ ligand<- Setter for "Bli" slot of ligand concentration ligand<--methods ~~ Methods for Function 'ligand<-' ~~ nls-class Class 'nls' plotKinetics Plot kinetics model fitting plotKinetics-methods ~~ Methods for Function 'plotKinetics' ~~ plotResiduals Plot residuals from kinetics model fitting plotResiduals-methods ~~ Methods for Function 'plotResiduals' ~~ plotTraces Plot BLI traces plotTraces-methods ~~ Methods for Function 'plotTraces' ~~ show-methods ~~ Methods for Function 'show' ~~ smoke-package Small Molecule Octet/BLI Kinetics Experiment status Getter for data processing 'status' status-methods ~~ Methods for Function 'status' ~~ tExp Getter for BLI times 'tExp' tExp-methods ~~ Methods for Function 'tExp' ~~ tExp<- Setter for BLI times 'tExp' tExp<--methods ~~ Methods for Function 'tExp<-' ~~ traces Getter of BLI 'traces' traces-methods ~~ Methods for Function 'traces' ~~ traces<- Setter of BLI 'traces' traces<--methods ~~ Methods for Function 'traces<-' ~~
'Smoke' is an object-based package to analyze kinetics data from BioLayer Interferometry (BLI). The example dataset was published in Nature Communication 2020, 11: 339.
Author(s)
Qingan Sun, Xiaojun Li, James C Sacchettini
Maintainer: Qingan Sun <quinsun@gmail.com>
References
Sun Q, Li X, Perez LM, Shi W, Zhang Y, Sacchettini JC (2020). “The molecular basis of pyrazinamide activity on Mycobacterium tuberculosis PanD.” Nature Communications, 11(339).
Examples
bli1 <- alignLoad(bli, 180, 780)
bli2 <- doubleBlank(bli1)
bli3 <- baseline(bli2, 1080, 1260)
bli4 <- estimate(bli3)
bli5 <- fitKinetics(bli4)
plotTraces(bli2)
plotKinetics(bli5)
plotResiduals(bli5)
Constructor of "Bli" class
Description
Construction of a new "Bli" object with all slots initialized.
Usage
Bli(...)
Arguments
... |
.Object in |
Value
S4 object of "Bli" class
Author(s)
Qingan Sun, Xiaojun Li, James C Sacchettini
Maintainer: Qingan Sun <quinsun@gmail.com>
References
Sun Q, Li X, Perez LM, Shi W, Zhang Y, Sacchettini JC (2020). “The molecular basis of pyrazinamide activity on Mycobacterium tuberculosis PanD.” Nature Communications, 11(339).
See Also
Examples
bli1 <- Bli()
Class "Bli"
Description
Bli
is a S4 class to contain the Bli experiment data and analysis result.
Arguments
... |
.Object in |
Objects from the Class
Objects can be created by calls of the form Bli(...)
.
Slots
traces
:Object of class
"data.frame"
of BLI traces; "time" in the 1st columnlig
:Object of class
"numeric"
of ligand concentrationstExp
:Object of class
"numeric"
of association and dissociation timesstatus
:Object of class
"vector"
indicator and record of processingkinetics
:Object of class
"nls"
model of binding kineticskOn0
:Object of class
"numeric"
initial value of on-ratekOff0
:Object of class
"numeric"
initial value of off-rate
Methods
- alignLoad
signature(obj = "Bli")
: Align BLI traces with loading step- baseline
signature(obj = "Bli")
: Align BLI traces with baseline step- doubleBlank
signature(obj = "Bli")
: Substract the double-references- estimate
signature(obj = "Bli")
: Estimate initial kinetic parameters- fitKinetics
signature(obj = "Bli")
: Fit binding kinetics- initialize
signature(.Object = "Bli")
: initializer- kinetics
signature(obj = "Bli")
: Output kinetics model- kOff0
signature(obj = "Bli")
: Getter for "Bli" slot ofkOff0
- kOff0<-
signature(obj = "Bli")
: Setter for "Bli" slot ofkOff0
- kOn0
signature(obj = "Bli")
: Getter for "Bli" slot ofkOn0
- kOn0<-
signature(obj = "Bli")
: Setter for "Bli" slot ofkOn0
- ligand
signature(obj = "Bli")
: Getter forligand
concentration- ligand<-
signature(obj = "Bli")
: Setter forligand
concentration- plotKinetics
signature(obj = "Bli")
: Plot kinetics model fitting- plotResiduals
signature(obj = "Bli")
: Plot residuals from kinetics model fitting- plotTraces
signature(obj = "Bli")
: Plot BLI traces- show
signature(object = "Bli")
: show method- status
signature(obj = "Bli")
: Getter for data processingstatus
- tExp
signature(obj = "Bli")
: Getter for BLI timestExp
- tExp<-
signature(obj = "Bli")
: Setter for BLI timestExp
- traces
signature(obj = "Bli")
: Getter of BLItraces
- traces<-
signature(obj = "Bli")
: Setter of BLItraces
Author(s)
Qingan Sun, Xiaojun Li, James C Sacchettini
Maintainer: Qingan Sun <quinsun@gmail.com>
References
Sun Q, Li X, Perez LM, Shi W, Zhang Y, Sacchettini JC (2020). “The molecular basis of pyrazinamide activity on Mycobacterium tuberculosis PanD.” Nature Communications, 11(339).
Examples
showClass("Bli")
Align BLI traces with loading step
Description
Align BLI traces with loading step with the start and end times.
Usage
alignLoad(obj, loadStart, loadEnd)
Arguments
obj |
|
loadStart |
start time of the loading step |
loadEnd |
end time of the loading step |
Details
This is the optional first step in BLI data processing. The traces
in the input "Bli" object is assumed to be paired original dataset. The output "Bli" object contains the traces
aligned, and the status
of "alignLoad" set to "TRUE".
Value
S4 object of "Bli" class
Author(s)
Qingan Sun, Xiaojun Li, James C Sacchettini
Maintainer: Qingan Sun <quinsun@gmail.com>
References
Sun Q, Li X, Perez LM, Shi W, Zhang Y, Sacchettini JC (2020). “The molecular basis of pyrazinamide activity on Mycobacterium tuberculosis PanD.” Nature Communications, 11(339).
Examples
bli1 <- alignLoad(bli, 180, 780)
~~ Methods for Function alignLoad
~~
Description
~~ Methods for function alignLoad
~~
Methods
signature(obj = "Bli")
Align BLI traces with baseline step
Description
Align BLI traces with the baseline step right before the association step. The start and end times of baseline are input arguments.
Usage
baseline(obj, tStart, tEnd)
Arguments
obj |
|
tStart |
start time of the baseline |
tEnd |
end time of the baseline |
Details
This step follows doubleBlank
step. The output "Bli" object contains the traces
aligned with baselines, and the status
of "baseline" set to "TRUE". Also the traces number will be checked. If it does not equal the number of ligand concentration, a warning will be raised: "ligand concentrations mis-match trace number".
Value
S4 object of "Bli" class
Author(s)
Qingan Sun, Xiaojun Li, James C Sacchettini
Maintainer: Qingan Sun <quinsun@gmail.com>
References
Sun Q, Li X, Perez LM, Shi W, Zhang Y, Sacchettini JC (2020). “The molecular basis of pyrazinamide activity on Mycobacterium tuberculosis PanD.” Nature Communications, 11(339).
Examples
bli1 <- alignLoad(bli, 180, 780)
bli2 <- doubleBlank(bli1)
bli3 <- baseline(bli2, 1080, 1260)
~~ Methods for Function baseline
~~
Description
~~ Methods for function baseline
~~
Methods
signature(obj = "Bli")
BLI data example
Description
This is an unprocessed BLI data saved in a "BLI" object (Sun et al. 2020).
Usage
data("bli")
Format
A S4 "Bli" class with 7 slots.
status
a logical vector indicating this is a raw dataset
traces
a data.frame with 16 BLI traces at 12290 time points
ligand
a numeric vector of ligand concentrations
tExp
a numeric vector of association and dissociation times
kOn0
a numeric of initial on-rate; empty
kOff0
a numeric of initial off-rate; empty
kinetics
a
nls
object; empty
Source
Sun Q, Li X, Perez LM, Shi W, Zhang Y, Sacchettini JC (2020). “The molecular basis of pyrazinamide activity on Mycobacterium tuberculosis PanD.” Nature Communications, 11(339).
Examples
data(bli)
Substract the double-references
Description
The BLI experiment for small-molecules is designed to have double references: reference biosensor and reference sample, i.e. b
Usage
doubleBlank(obj)
Arguments
obj |
|
Details
The signal in small-molecule BLI experiment is small in relation to noise. So the experiment design includes double references: reference biosensor and reference sample (no ligand). With subtraction of both, we expect to remove both the background signal and the non-specific binding.
The doubleBlank
assumes that traces
in the input "Bli" object contains two consecutive sets of columns with the second set as the refence biosensor, and the reference samples as the last column in each set. This means that the traces are "paired" and traces number is even. If not, an error message will be raised: "the double-referenced traces should be paired".
After doubleBlank
, the number of traces should be equal to the number of ligand concentration. If not, a warning will be raised: "ligand concentrations mis-match trace number".
Also, after successful doubleBlank
, the status
of "doubleBlank" will be set to "TRUE". This prevent the user to run doubleBlank
twice in accident.
Value
S4 object of "Bli" class
Author(s)
Qingan Sun, Xiaojun Li, James C Sacchettini
Maintainer: Qingan Sun <quinsun@gmail.com>
References
Sun Q, Li X, Perez LM, Shi W, Zhang Y, Sacchettini JC (2020). “The molecular basis of pyrazinamide activity on Mycobacterium tuberculosis PanD.” Nature Communications, 11(339).
Examples
bli1 <- alignLoad(bli, 180, 780)
bli2 <- doubleBlank(bli1)
~~ Methods for Function doubleBlank
~~
Description
~~ Methods for function doubleBlank
~~
Methods
signature(obj = "Bli")
Estimate initial kinetic parameters
Description
Estimate the initial kinetic parameters, kOn0
and kOff0
, and save in the returned "Bli" object. These parameters can serve as the starting value in the next step, fitKinetics
, to calculate the kinetics binding model of the small-molecule under investigation.
Usage
estimate(obj)
Arguments
obj |
|
Value
S4 object of "Bli" class
Note
kOn0
and kOff0
can also be input manually with the setter functions, kOn0<-
and kOff0<-
.
Author(s)
Qingan Sun, Xiaojun Li, James C Sacchettini
Maintainer: Qingan Sun <quinsun@gmail.com>
References
Sun Q, Li X, Perez LM, Shi W, Zhang Y, Sacchettini JC (2020). “The molecular basis of pyrazinamide activity on Mycobacterium tuberculosis PanD.” Nature Communications, 11(339).
Examples
bli1 <- alignLoad(bli, 180, 780)
bli2 <- doubleBlank(bli1)
bli3 <- baseline(bli2, 1080, 1260)
bli4 <- estimate(bli3)
~~ Methods for Function estimate
~~
Description
~~ Methods for function estimate
~~
Methods
signature(obj = "Bli")
Fit binding kinetics
Description
Fit the BLI traces with a single association-then-dissociation equation.
Usage
fitKinetics(obj)
Arguments
obj |
|
Details
We fit the whole set of BLI traces with a single association-then-dissociation equation (Sun et al. 2020). The fitting model will be stored in the kinetics
slot, and the status
of "fitKinetics" will be set to "TRUE".
Value
S4 object of "Bli" class
Author(s)
Qingan Sun, Xiaojun Li, James C Sacchettini
Maintainer: Qingan Sun <quinsun@gmail.com>
References
Sun Q, Li X, Perez LM, Shi W, Zhang Y, Sacchettini JC (2020). “The molecular basis of pyrazinamide activity on Mycobacterium tuberculosis PanD.” Nature Communications, 11(339).
See Also
kinetics
, plotKinetics
, plotResiduals
Examples
bli1 <- alignLoad(bli, 180, 780)
bli2 <- doubleBlank(bli1)
bli3 <- baseline(bli2, 1080, 1260)
bli4 <- estimate(bli3)
bli5 <- fitKinetics(bli4)
~~ Methods for Function fitKinetics
~~
Description
~~ Methods for function fitKinetics
~~
Methods
signature(obj = "Bli")
~~ Methods for Function initialize
~~
Description
~~ Methods for function initialize
~~
Methods
signature(.Object = "Bli")
Getter for "Bli" slot of kOff0
Description
The getter function for "Bli" slot of kOff0
, initial kOff rate.
Usage
kOff0(obj)
Arguments
obj |
|
Value
numeric of kOff0
Author(s)
Qingan Sun, Xiaojun Li, James C Sacchettini
Maintainer: Qingan Sun <quinsun@gmail.com>
See Also
Examples
bli1 <- alignLoad(bli, 180, 780)
bli2 <- doubleBlank(bli1)
bli3 <- baseline(bli2, 1080, 1260)
bli4 <- estimate(bli3)
kOff0(bli4)
~~ Methods for Function kOff0<-
~~
Description
~~ Methods for function kOff0<-
~~
Methods
signature(obj = "Bli")
Setter for "Bli" slot of kOff0
Description
The setter function for "Bli" slot of kOff0
, initial kOff rate
Usage
kOff0(obj) <- value
Arguments
obj |
|
value |
initial kOff rate |
Value
S4 object of "Bli" class
Note
It is preferred to estimate
initial kOff rate.
Author(s)
Qingan Sun, Xiaojun Li, James C Sacchettini
Maintainer: Qingan Sun <quinsun@gmail.com>
See Also
Examples
bli <- Bli()
kOff0(bli) <- 0.1
~~ Methods for Function kOff0
~~
Description
~~ Methods for function kOff0
~~
Methods
signature(obj = "Bli")
Getter for "Bli" slot of kOn0
Description
The getter function for "Bli" slot of kOn0
, initial kOn rate.
Usage
kOn0(obj)
Arguments
obj |
|
Value
numeric of kOn0
Author(s)
Qingan Sun, Xiaojun Li, James C Sacchettini
Maintainer: Qingan Sun <quinsun@gmail.com>
See Also
Examples
bli1 <- alignLoad(bli, 180, 780)
bli2 <- doubleBlank(bli1)
bli3 <- baseline(bli2, 1080, 1260)
bli4 <- estimate(bli3)
kOn0(bli4)
~~ Methods for Function kOn0<-
~~
Description
~~ Methods for function kOn0<-
~~
Methods
signature(obj = "Bli")
Setter for "Bli" slot of kOn0
Description
The setter function for "Bli" slot of kOn0
, initial kOn rate.
Usage
kOn0(obj) <- value
Arguments
obj |
|
value |
initial kOn rate |
Value
S4 object of "Bli" class
Note
It is preferred to estimate
initial kOn rate.
Author(s)
Qingan Sun, Xiaojun Li, James C Sacchettini
Maintainer: Qingan Sun <quinsun@gmail.com>
See Also
Examples
bli <- Bli()
kOn0(bli) <- 0.1
~~ Methods for Function kOn0
~~
Description
~~ Methods for function kOn0
~~
Methods
signature(obj = "Bli")
Output kinetics model
Description
Output kinetics model with matrix containing KD, rMax, kOn, kOff, and the relevant statistics.
Usage
kinetics(obj)
Arguments
obj |
|
Value
"matrix" with kinetic parameters
Author(s)
Qingan Sun, Xiaojun Li, James C Sacchettini
Maintainer: Qingan Sun <quinsun@gmail.com>
References
Sun Q, Li X, Perez LM, Shi W, Zhang Y, Sacchettini JC (2020). “The molecular basis of pyrazinamide activity on Mycobacterium tuberculosis PanD.” Nature Communications, 11(339).
See Also
Examples
bli1 <- alignLoad(bli, 180, 780)
bli2 <- doubleBlank(bli1)
bli3 <- baseline(bli2, 1080, 1260)
bli4 <- estimate(bli3)
bli5 <- fitKinetics(bli4)
kinetics(bli5)
~~ Methods for Function kinetics
~~
Description
~~ Methods for function kinetics
~~
Methods
signature(obj = "Bli")
Getter for "Bli" slot of ligand concentration
Description
The getter function for "Bli" slot of ligand concentration. If the slot is empty, there will be an error message: "please input ligand concentration".
Usage
ligand(obj)
Arguments
obj |
|
Value
a numeric vector for the ligand concentration in BLI experiment
Author(s)
Qingan Sun, Xiaojun Li, James C Sacchettini
Maintainer: Qingan Sun <quinsun@gmail.com>
See Also
Examples
conc <- ligand(bli)
~~ Methods for Function ligand<-
~~
Description
~~ Methods for function ligand<-
~~
Methods
signature(obj = "Bli")
Setter for "Bli" slot of ligand concentration
Description
The setter function for "Bli" slot of ligand concentration in BLI experiment.
Usage
ligand(obj) <- value
Arguments
obj |
|
value |
|
Value
S4 object of "Bli" class
Note
The ligand concentrations do not include the blank control (0).
Author(s)
Qingan Sun, Xiaojun Li, James C Sacchettini
Maintainer: Qingan Sun <quinsun@gmail.com>
See Also
Examples
bli1 <- Bli()
ligand(bli1) <- 16/2^(0:6)
~~ Methods for Function ligand
~~
Description
~~ Methods for function ligand
~~
Methods
signature(obj = "Bli")
Class nls
Description
Registration of S3 nls
into S4 class.
Author(s)
Qingan Sun, Xiaojun Li, James C Sacchettini
Maintainer: Qingan Sun <quinsun@gmail.com>
Plot kinetics model fitting
Description
Plot the BLI traces with the kinetics-model fitting.
Usage
plotKinetics(obj, ...)
Arguments
obj |
|
... |
Arguments to be passed to methods, such as graphical parameters |
Note
This method only works after fitKinetics
.
Author(s)
Qingan Sun, Xiaojun Li, James C Sacchettini
Maintainer: Qingan Sun <quinsun@gmail.com>
References
Sun Q, Li X, Perez LM, Shi W, Zhang Y, Sacchettini JC (2020). “The molecular basis of pyrazinamide activity on Mycobacterium tuberculosis PanD.” Nature Communications, 11(339).
See Also
Examples
bli1 <- alignLoad(bli, 180, 780)
bli2 <- doubleBlank(bli1)
bli3 <- baseline(bli2, 1080, 1260)
bli4 <- estimate(bli3)
bli5 <- fitKinetics(bli4)
plotKinetics(bli5)
~~ Methods for Function plotKinetics
~~
Description
~~ Methods for function plotKinetics
~~
Methods
signature(obj = "Bli")
Plot residuals from kinetics model fitting
Description
Plot the residuals from the kinetics-model fitting
Usage
plotResiduals(obj, ...)
Arguments
obj |
|
... |
Arguments to be passed to methods, such as graphical parameters |
Note
This method only works after fitKinetics
.
Author(s)
Qingan Sun, Xiaojun Li, James C Sacchettini
Maintainer: Qingan Sun <quinsun@gmail.com>
References
Sun Q, Li X, Perez LM, Shi W, Zhang Y, Sacchettini JC (2020). “The molecular basis of pyrazinamide activity on Mycobacterium tuberculosis PanD.” Nature Communications, 11(339).
See Also
Examples
bli1 <- alignLoad(bli, 180, 780)
bli2 <- doubleBlank(bli1)
bli3 <- baseline(bli2, 1080, 1260)
bli4 <- estimate(bli3)
bli5 <- fitKinetics(bli4)
plotResiduals(bli5)
~~ Methods for Function plotResiduals
~~
Description
~~ Methods for function plotResiduals
~~
Methods
signature(obj = "Bli")
Plot BLI traces
Description
Plot the BLI traces in the "Bli" object.
Usage
plotTraces(obj, ...)
Arguments
obj |
|
... |
Arguments to be passed to methods, such as graphical parameters |
Author(s)
Qingan Sun, Xiaojun Li, James C Sacchettini
Maintainer: Qingan Sun <quinsun@gmail.com>
See Also
Examples
plotTraces(bli)
~~ Methods for Function plotTraces
~~
Description
~~ Methods for function plotTraces
~~
Methods
signature(obj = "Bli")
~~ Methods for Function show
~~
Description
~~ Methods for function show
~~
Methods
signature(object = "Bli")
Getter for data processing status
Description
The getter function for the data processing status
.
Usage
status(obj)
Arguments
obj |
|
Value
"logical" vector as the indicator of the status of data analysis
Note
There is no Setter for status
by design.
Because status
is modified automatically during data processing, there is no need for the user to change the status
manually.
Author(s)
Qingan Sun, Xiaojun Li, James C Sacchettini
Maintainer: Qingan Sun <quinsun@gmail.com>
See Also
alignLoad
, doubleBlank
, baseline
, estimate
, fitKinetics
Examples
bli <- Bli()
status(bli)
~~ Methods for Function status
~~
Description
~~ Methods for function status
~~
Methods
signature(obj = "Bli")
Getter for BLI times tExp
Description
The getter function for BLI times tExp
, the start time of association and dissociation steps.
Usage
tExp(obj)
Arguments
obj |
|
Value
"numeric" vector for the start time of association and dissociation steps
Author(s)
Qingan Sun, Xiaojun Li, James C Sacchettini
Maintainer: Qingan Sun <quinsun@gmail.com>
References
Sun Q, Li X, Perez LM, Shi W, Zhang Y, Sacchettini JC (2020). “The molecular basis of pyrazinamide activity on Mycobacterium tuberculosis PanD.” Nature Communications, 11(339).
Examples
tExp(bli)
~~ Methods for Function tExp<-
~~
Description
~~ Methods for function tExp<-
~~
Methods
signature(obj = "Bli")
Setter for BLI times tExp
Description
The setter function for BLI times tExp
, the start time of association and dissociation steps.
Usage
tExp(obj) <- value
Arguments
obj |
|
value |
"numeric" vector for the start time of association and dissociation steps |
Value
S4 object of "Bli" class
Author(s)
Qingan Sun, Xiaojun Li, James C Sacchettini
Maintainer: Qingan Sun <quinsun@gmail.com>
References
Sun Q, Li X, Perez LM, Shi W, Zhang Y, Sacchettini JC (2020). “The molecular basis of pyrazinamide activity on Mycobacterium tuberculosis PanD.” Nature Communications, 11(339).
Examples
bli <- Bli()
tExp(bli) <- c(1260,1860)
~~ Methods for Function tExp
~~
Description
~~ Methods for function tExp
~~
Methods
signature(obj = "Bli")
Getter of BLI traces
Description
The getter function of BLI traces
. The first column of this data.frame is the time in second; the following columns are the BLI traces.
Usage
traces(obj)
Arguments
obj |
|
Value
"data.frame" of BLI traces
Author(s)
Qingan Sun, Xiaojun Li, James C Sacchettini
Maintainer: Qingan Sun <quinsun@gmail.com>
Examples
traces(bli)
~~ Methods for Function traces<-
~~
Description
~~ Methods for function traces<-
~~
Methods
signature(obj = "Bli")
Setter of BLI traces
Description
The setter function of BLI traces
. The input "data.frame" contains the times in the first column and the BLI traces in the following columns.
Usage
traces(obj) <- value
Arguments
obj |
|
value |
"data.frame" of BLI |
Details
There may be two kinds of input "data.frame":
The "original" data with times in the first column, and two consecutive sets of BLI traces in the remaining columns. The second set are the traces from the reference biosensor. In both sets, the last trace is from the reference sample (no ligand).
The user may input the traces of which the double references have been subtracted. In this case, the first column is still the time. The rest of the columns contain the traces with the exact number of the length of ligand concentration.
Value
S4 object of "Bli" class
Author(s)
Qingan Sun, Xiaojun Li, James C Sacchettini
Maintainer: Qingan Sun <quinsun@gmail.com>
References
Sun Q, Li X, Perez LM, Shi W, Zhang Y, Sacchettini JC (2020). “The molecular basis of pyrazinamide activity on Mycobacterium tuberculosis PanD.” Nature Communications, 11(339).
See Also
Examples
bli <- Bli()
# traces(bli) <- read.csv("traces.csv")
~~ Methods for Function traces
~~
Description
~~ Methods for function traces
~~
Methods
signature(obj = "Bli")