Displaying 7 results from an estimated 7 matches for "dipeptid".
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dipeptide
2017 Sep 19
3
remove quotes from matrix
..., 3L, 3L, 3L), .Label =
c("Acetylated_Peptides",
"Advanced_Glycation_End-product", "Alanine_and_Aspartate", "Aminosugar",
"Ascorbate_and_Aldarate", "Carnitine", "Ceramides", "Creatine",
"Diacylglycerol", "Dipeptide", "Dipeptide_Derivative",
"Disaccharides_and_Oligosaccharides",
"Eicosanoid", "Endocannabinoid", "Fatty_Acid(Acyl_Carnitine)",
"Fatty_Acid(Acyl_Glycine)", "Fatty_Acid,_Amino", "Fatty_Acid,_Branched",
"Fatty_A...
2010 Mar 31
2
Generative Topographic Map
...rsion of package
I noticed the original MatLab Pckage is much better documented.
I had a look at the R demo code "gtm_demo" and found that variable Y is used in advanced of being created:
I wrote my own few lines as follows:
inDir <- "C:/Documents and Settings/Monville/Alanine Dipeptide/DBP1/DHA"
setwd(inDir)
T <- read.table("DHA_TNH.txt")
L <- 3
X <- matrix(nrow=nrow(T),ncol=3,byrow=TRUE)
MU <- matrix(nrow=round(nrow(T)/5), ncol=L)
for(i in 1:ncol(X)) {
for(j in 1:nrow(X)) {
X[j,i] <- RANDU()
}
}
for(i in 1:ncol(MU)) {
for...
2017 Sep 19
0
remove quotes from matrix
...l =
> c("Acetylated_Peptides",
> "Advanced_Glycation_End-product", "Alanine_and_Aspartate", "Aminosugar",
> "Ascorbate_and_Aldarate", "Carnitine", "Ceramides", "Creatine",
> "Diacylglycerol", "Dipeptide", "Dipeptide_Derivative",
> "Disaccharides_and_Oligosaccharides",
> "Eicosanoid", "Endocannabinoid", "Fatty_Acid(Acyl_Carnitine)",
> "Fatty_Acid(Acyl_Glycine)", "Fatty_Acid,_Amino", "Fatty_Acid,_Branched"...
2010 Mar 01
0
Is package "dr" appropriate for reducing the dimensionality of molecules conformational space ?
I anticipate lacking of prior experience with dimensionality reduction problems.
Some scientists concerned with drug discovery performed several steered Molecular Dynamics simulations of the
alanine-dipeptide molecule dragged by a radial force from an equilibrium conformation to another different equilibrium conformation.
They sampled at regular intervals 7 dihedral angles, 5 bending angles, and 4 atom pair distances all along the trajectory from
the initial to the final conformation. Likewise they a...
2010 Apr 12
0
WMTSA "wavCWTPeaks" : Error in if (time.start < times.range[1]) time.start <- times.range[1]
...olumns 1 and 3 have to be considered. It is the work trajectory of a molecule migrating between two equilibrium conformations.
The curve has 2 peaks, as shown in its plot. But I keep missing the 2nd one. Here is my short script:
library(wmtsa)
setwd("C:/Documents and Settings/Monville/Alanine Dipeptide/Work_curves-Dir")
work <- as.ts(read.table ("calc_work_332")[,c(1,3)])
plot(work[,1],work[,2])
work.wt <- wavCWT(work, n.scale=1000)
scales <- attr(work.wt, "scale")
work.tree <- wavCWTTree(work.wt,tolerance=0.5/sqrt(scales))
work.peak <- wavCWTPeaks(work.tr...
2017 Sep 19
0
remove quotes from matrix
On 19/09/2017 9:47 AM, greg holly wrote:
> Hi all;
>
> I have data at 734*22 dimensions with rows and columns names are
> non-numeric.When I convert this data into matrix then all values show up
> with quotes. Then when I use
> x1= noquotes(x) to remove the quotes from the matrix then non-numeric row
> names remain all other values in matrix disappear.
>
> Your help is
2017 Sep 19
3
remove quotes from matrix
Hi all;
I have data at 734*22 dimensions with rows and columns names are
non-numeric.When I convert this data into matrix then all values show up
with quotes. Then when I use
x1= noquotes(x) to remove the quotes from the matrix then non-numeric row
names remain all other values in matrix disappear.
Your help is greatly appreciated.
Greg
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