ggplot2, magrittr, mvtnorm, purrr, rlang (>= 0.3.0),
rmarkdown, tools, truncdist, utils

c(person(given = "Pedro",
family = "Delicado",
email = "pedro.delicado@upc.edu",
role = "aut",
comment = "C++ original, https://www-eio.upc.es/~delicado/PCOP/index.html"),
person(given = "Mario",
family = "Huerta",
email = "mario.huerta@uab.es",
role = "aut",
comment = "C++ original"),
person(given = "Kevin Michael",
family = "Frick",
email = "kmfrick98@gmail.com",
role = c("trl", "aut", "cre"),
comment = "Fixes for modern C++ and Rcpp port, with permission from the original authors"),
person(given = "Stephen L.",
family = "Moshier",
email = "steve@moshier.net",
role = "cph",
comment = "Wrote eigens(), which computes eigenvalues and eigenvectors of a real symmetric matrix"))
Principal curves generalize the notion of a first principal component to the case in which it is a non linear smooth curve. This package provides a function pcop(X) to compute principal curves with the algorithm defined in Delicado (2001) <doi:10.1006/jmva.2000.1917> from a data matrix X.
Pedro Delicado [aut] (C++ original,
https://www-eio.upc.es/~delicado/PCOP/index.html),
Mario Huerta [aut] (C++ original),
Kevin Michael Frick [trl, aut, cre] (Fixes for modern C++ and Rcpp
port, with permission from the original authors),
Stephen L. Moshier [cph] (Wrote eigens(), which computes eigenvalues
and eigenvectors of a real symmetric matrix)

Read, write, visualize and manipulate PDB files
Provides tools to read, write, visualize PDB files and perform some structural manipulations.

Read, Write, Visualize and Manipulate PDB Files
Provides tools to read, write, visualize PDB files and perform some
structural manipulations.

Tools for Chromatographic Column Characterization and Modelling
Chromatographic Peak
Manuel David Peris Diaz, Maria Isabel Alcoriza Balaguer
R (>= 2.10.1), ggplot2, minpack.lm, pracma, ptw
The quantitative measurement and detection of molecules in HPLC should be carried out by an accurate description of chromatographic peaks. In this package non-linear fitting using a modified Gaussian model with a parabolic variance (PVMG) has been implemented to obtain the retention time and height at the peak maximum. This package also includes the traditional Van Deemter approach and two alternatives approaches to characterize chromatographic column.