{ "_id": "6a1bf6641d7bb097a0a263fe", "Package": "SOMMD", "Title": "Self Organising Maps for the Analysis of Molecular Dynamics Data", "Version": "0.1.2", "Authors@R": "c(\nperson(given = \"Alessandro\",\nfamily = \"Pandini\",\nrole = c(\"aut\", \"cph\"),\nemail = \"alessandro.pandini@brunel.ac.uk\",\ncomment = c(ORCID = \"https://orcid.org/0000-0002-4158-233X\")),\nperson(given = \"Stefano\",\nfamily = \"Motta\",\nrole = c(\"aut\", \"cre\", \"cph\"),\nemail = \"stefano.motta@unimib.it\",\ncomment = c(ORCID = \"https://orcid.org/0000-0002-0812-6834\")),\nperson(given = \"Erik\",\nfamily = \"Lindahl\",\nrole = c(\"ctb\"),\ncomment = \"Author of xdrfile C library\"),\nperson(given = \"David\",\nfamily = \"van der Spoel\",\nrole = c(\"ctb\"),\ncomment = \"Author of xdrfile C library\"))", "Description": "Processes data from Molecular Dynamics simulations using\nSelf Organising Maps. Features include the ability to read\ndifferent input formats. Trajectories can be analysed to\nidentify groups of important frames. Output visualisation can\nbe generated for maps and pathways. Methodological details can\nbe found in Motta S et al (2022)\n. I/O functions for xtc format\nfiles were implemented using the 'xdrfile' library available\nunder open source license. 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