R package citation, R package reverse dependencies, R package scholars, install an r package from GitHub hy is package acceptance pending why is package undeliverable amazon why is package on hold dhl tour packages why in r package r and r package full form why is r free why r is bad which r package to install which r package has which r package which r package version which r package readxl which r package ggplot which r package fread which r package license where is package.json where is package-lock.json where is package.swift where is package explorer in eclipse where is package where is package manager unity where is package installer android where is package manager console in visual studio who r package which r package to install which r package version who is package who is package deal who is package design r and r package full form r and r package meaning what r package has what package r what is package in java what is package what is package-lock.json what is package in python what is package.json what is package installer do r package can't install r packages r can't find package r can't load package can't load xlsx package r can't install psych package r can't install sf package r Write if else in NONMEM pk pd
metadynminer
View on CRAN: Click
here
Download and install metadynminer package within the R console
Install from CRAN:
install.packages("metadynminer")
Install from Github:
library("remotes")
install_github("cran/metadynminer")
Install by package version:
library("remotes")
install_version("metadynminer", "0.1.7")
Attach the package and use:
library("metadynminer")
Maintained by
Vojtech Spiwok
[Scholar Profile | Author Map]
[Scholar Profile | Author Map]
All associated links for this package
First Published: 2018-09-20
Latest Update: 2022-04-14
Description:
Metadynamics is a state of the art biomolecular simulation technique.
'Plumed' Tribello, G.A. et al. (2014) program makes
it possible to perform metadynamics using various simulation codes. The results of
metadynamics done in 'Plumed' can be analyzed by 'metadynminer'. The package
'metadynminer' reads 1D and 2D metadynamics hills files from 'Plumed' package.
It uses a fast algorithm by Hosek, P. and Spiwok, V. (2016)
to calculate a free energy surface from hills. Minima can be located and plotted on
the free energy surface. Transition states can be analyzed by Nudged Elastic Band
method by Henkelman, G. and Jonsson, H. (2000) . Free energy
surfaces, minima and transition paths can be plotted to produce publication quality
images.
How to cite:
Vojtech Spiwok (2018). metadynminer: Tools to Read, Analyze and Visualize Metadynamics HILLS Files from 'Plumed'. R package version 0.1.7, https://cran.r-project.org/web/packages/metadynminer. Accessed 21 Nov. 2024.
Previous versions and publish date:
Other packages that cited metadynminer R package
View metadynminer citation profile
Other R packages that metadynminer depends,
imports, suggests or enhances
Complete documentation for metadynminer
Functions, R codes and Examples using
the metadynminer R package
Some associated functions: acealanme . acealanme1d . emptyhills . feprof.minima . feprof . fes.hillsfile . fes . fes2.hillsfile . fes2 . fes2d21d . fesminima.fes . fesminima . fespoint.hillsfile . fespoint . head.hillsfile . lines.fes . lines.hillsfile . lines.nebpath . linesonfes . max.fes . min.fes . neb . oneminimum.fes . oneminimum . plot.fes . plot.hillsfile . plot.minima . plot.nebpath . plot.profiles . plotheights.hillsfile . plotheights . points.fes . points.hillsfile . points.nebpath . pointsonfes . print.fes . print.hillsfile . print.minima . print.nebpath . print.profiles . prob . read.hills . read.plumed . summary.fes . summary.hillsfile . summary.minima . summary.nebpath . summary.profiles . tail.hillsfile .
Some associated R codes: RcppExports.R . data.R . minimaandpaths.R . nebs.R . readingandfes.R . Full metadynminer package functions and examples
Downloads during the last 30 days
Get rewarded with contribution points by
helping add
Reviews / comments / questions /suggestions ↴↴↴
Today's Hot Picks in Authors and Packages
kgschart
Restore underlining numeric data from rating history graph of
KGS (an online platform of the game o ...
Download / Learn more Package Citations See dependency
Download / Learn more Package Citations See dependency
Maintainer: Kota Mori (view profile)
deductive
Attempt to repair inconsistencies and missing values in
data records by using information from vali ...
Download / Learn more Package Citations See dependency
Download / Learn more Package Citations See dependency
Maintainer: Mark van der Loo (view profile)
SCBiclust
Identifies a bicluster, a submatrix of the data such that the features and observations within the s ...
Download / Learn more Package Citations See dependency
Download / Learn more Package Citations See dependency
Maintainer: Erika S. Helgeson (view profile)
pkgdepends
Find recursive dependencies of 'R' packages from various
sources. Solve the dependencies to obtain ...
Download / Learn more Package Citations See dependency
Download / Learn more Package Citations See dependency
Maintainer: Gábor Csárdi (view profile)
crossrun
Joint distribution of number of crossings and the
longest run in a series of independent Bernoulli ...
Download / Learn more Package Citations See dependency
Download / Learn more Package Citations See dependency
Maintainer: Tore Wentzel-Larsen (view profile)
r2resize
Automatic resizing toolbar for containers, images and tables. Various resizable or expandable contai ...
Download / Learn more Package Citations See dependency
Download / Learn more Package Citations See dependency
Maintainer: Obinna Obianom (view profile)