Other packages > Find by keyword >

metadynminer3d  

Tools to Read, Analyze and Visualize Metadynamics 3D HILLS Files from 'Plumed'
View on CRAN: Click here


Download and install metadynminer3d package within the R console
Install from CRAN:
install.packages("metadynminer3d")

Install from Github:
library("remotes")
install_github("cran/metadynminer3d")

Install by package version:
library("remotes")
install_version("metadynminer3d", "0.0.2")



Attach the package and use:
library("metadynminer3d")
Maintained by
Vojtech Spiwok
[Scholar Profile | Author Map]
All associated links for this package
First Published: 2019-07-28
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. As an addendum, 'metadynaminer3d' is used to visualize 3D hills. 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. Free energy surfaces and minima can be plotted to produce publication quality images.
How to cite:
Vojtech Spiwok (2019). metadynminer3d: Tools to Read, Analyze and Visualize Metadynamics 3D HILLS Files from 'Plumed'. R package version 0.0.2, https://cran.r-project.org/web/packages/metadynminer3d. Accessed 25 Aug. 2026.
Previous versions and publish date:
(2026-07-09 06:29), 0.0.1 (2019-07-28 13:10)
Other packages that cited metadynminer3d R package
View metadynminer3d citation profile
Other R packages that metadynminer3d depends, imports, suggests or enhances
Complete documentation for metadynminer3d
Downloads during the last 30 days

Today's Hot Picks in Authors and Packages

r2resize  
In-Text Resize for Images, Tables and Fancy Resize Containers in 'shiny', 'rmarkdown' and 'quarto' Documents
Automatic resizing toolbar for containers, images and tables. Various resizable or expandable contai ...
Download / Learn more Package Citations See dependency  
missDiag  
Comparing Observed and Imputed Values under MAR and MCAR
Implements the computation of discrepancy statistics summarizing differences between the density of ...
Download / Learn more Package Citations See dependency  
hwep  
Hardy-Weinberg Equilibrium in Polyploids
Inference concerning equilibrium and random mating in autopolyploids. Methods are available to test ...
Download / Learn more Package Citations See dependency  
commonsMath  
JAR Files of the Apache Commons Mathematics Library
'Java' JAR files for the Apache Commons Mathematics Library for use by users and other packages. ...
Download / Learn more Package Citations See dependency  
connectwidgets  
Organize and Curate Your Content Within 'Posit Connect'
A collection of helper functions and 'htmlwidgets' to help publishers curate content collections on ...
Download / Learn more Package Citations See dependency  

28,332

R Packages

239,283

Dependencies

75,113

Author Associations

28,333

Publication Badges

© Copyright since 2022. All right reserved, rpkg.net.  Based in Cambridge, Massachusetts, USA