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SOMMD  

Self Organising Maps for the Analysis of Molecular Dynamics Data
View on CRAN: Click here


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

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

Install by package version:
library("remotes")
install_version("SOMMD", "0.1.2")



Attach the package and use:
library("SOMMD")
Maintained by
Stefano Motta
[Scholar Profile | Author Map]
All associated links for this package
First Published: 2024-10-02
Latest Update: 2024-10-02
Description:
Processes data from Molecular Dynamics simulations using Self Organising Maps. Features include the ability to read different input formats. Trajectories can be analysed to identify groups of important frames. Output visualisation can be generated for maps and pathways. Methodological details can be found in Motta S et al (2022) <doi:10.1021/acs.jctc.1c01163>. I/O functions for xtc format files were implemented using the 'xdrfile' library available under open source license. The relevant information can be found in inst/COPYRIGHT.
How to cite:
Stefano Motta (2024). SOMMD: Self Organising Maps for the Analysis of Molecular Dynamics Data. R package version 0.1.2, https://cran.r-project.org/web/packages/SOMMD. Accessed 05 Aug. 2026.
Previous versions and publish date:
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Complete documentation for SOMMD
Functions, R codes and Examples using the SOMMD R package
Full SOMMD package functions and examples
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