{"id":19339517,"url":"https://github.com/becksteinlab/mdanalysis-workshop","last_synced_at":"2025-04-23T02:30:49.400Z","repository":{"id":87423799,"uuid":"43326928","full_name":"Becksteinlab/MDAnalysis-workshop","owner":"Becksteinlab","description":"MDAnalysis Tutorial at the 2015 CECAM Macromolecular simulation software workshop","archived":false,"fork":false,"pushed_at":"2016-07-22T20:38:27.000Z","size":23332,"stargazers_count":12,"open_issues_count":0,"forks_count":7,"subscribers_count":1,"default_branch":"master","last_synced_at":"2025-04-02T06:43:06.813Z","etag":null,"topics":[],"latest_commit_sha":null,"homepage":"http://becksteinlab.github.io/MDAnalysis-workshop","language":"Jupyter Notebook","has_issues":true,"has_wiki":null,"has_pages":null,"mirror_url":null,"source_name":null,"license":null,"status":null,"scm":"git","pull_requests_enabled":true,"icon_url":"https://github.com/Becksteinlab.png","metadata":{"files":{"readme":"README.md","changelog":null,"contributing":null,"funding":null,"license":null,"code_of_conduct":null,"threat_model":null,"audit":null,"citation":null,"codeowners":null,"security":null,"support":null,"governance":null,"roadmap":null,"authors":null,"dei":null,"publiccode":null,"codemeta":null}},"created_at":"2015-09-28T21:03:02.000Z","updated_at":"2024-05-27T09:07:17.000Z","dependencies_parsed_at":null,"dependency_job_id":"aa2da4ce-8195-4602-82ba-197051181b65","html_url":"https://github.com/Becksteinlab/MDAnalysis-workshop","commit_stats":null,"previous_names":[],"tags_count":0,"template":false,"template_full_name":null,"repository_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/Becksteinlab%2FMDAnalysis-workshop","tags_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/Becksteinlab%2FMDAnalysis-workshop/tags","releases_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/Becksteinlab%2FMDAnalysis-workshop/releases","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/Becksteinlab%2FMDAnalysis-workshop/manifests","owner_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/Becksteinlab","download_url":"https://codeload.github.com/Becksteinlab/MDAnalysis-workshop/tar.gz/refs/heads/master","host":{"name":"GitHub","url":"https://github.com","kind":"github","repositories_count":250357551,"owners_count":21417305,"icon_url":"https://github.com/github.png","version":null,"created_at":"2022-05-30T11:31:42.601Z","updated_at":"2022-07-04T15:15:14.044Z","host_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub","repositories_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories","repository_names_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repository_names","owners_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners"}},"keywords":[],"created_at":"2024-11-10T03:22:36.546Z","updated_at":"2025-04-23T02:30:49.391Z","avatar_url":"https://github.com/Becksteinlab.png","language":"Jupyter Notebook","funding_links":[],"categories":[],"sub_categories":[],"readme":"# MDAnalysis Tutorial at the 2015 CECAM Macromolecular simulation software workshop\n\n## For Participants\n\nPlease follow the [preparation\ninstructions](http://becksteinlab.github.io/MDAnalysis-workshop) in\nadvanced of the tutorial session on *Wed Oct 14, 2015*. You need to\n\n* [install MDAnalysis](http://becksteinlab.github.io/MDAnalysis-workshop/installation.html#chapter-installing-mdanalysis) on your laptop\n* [download the example data](http://becksteinlab.github.io/MDAnalysis-workshop/datadownload.html#chapter-datadownload)\n\n\n## Background\n\nThe [CECAM Macromolecular simulation software\nworkshop](http://www.cecam.org/workshop-0-1214.html) contains a [CECAM\nanalysing simulation data\nmini-workshop](http://philipwfowler.me/cecam-analysing-simulation-data-mini-workshop/)\nlead by Dr Phillip Fowler and as part of these two days, a team of\n[MDAnalysis](http://mdanalysis.org) developers (Oliver Beckstein,\nDavid Dotson, Tyler Reddy, Phil Fowler) will be at hand to give an\nintroduction to the MDAnalysis Python library and be available to help\nwith projects during the *hackathon*.\n\n## Workshop\n\nThe workshop session was held by David and Oliver, with the introductory presentation in the *talk* directory (PDF and Keynote 08 format). They live-coded in an ipython notebook, following the notes in \n\n* [notebooks/MDAnalysis_Workshop_Part_1.ipynb](http://nbviewer.ipython.org/github/Becksteinlab/MDAnalysis-workshop/blob/master/notebooks/MDAnalysis_Workshop_Part_1.ipynb)\n* [notebooks/MDAnalysis_Workshop_Part_2.ipynb](http://nbviewer.ipython.org/github/Becksteinlab/MDAnalysis-workshop/blob/master/notebooks/MDAnalysis_Workshop_Part_2.ipynb)\n\nThe live-coded notebook was regularly synced to\n[dotsdl/MDAnalysis-workshop-notebook-julich/MDAnalysis Tutorial.ipynb](https://github.com/dotsdl/MDAnalysis-workshop-notebook-julich/MDAnalysis Tutorial.ipynb) (by\nrunning a small `git commit -m \"bump\" \"MDAnalysis Tutorial.ipynb\"; git\npush` script from a hotkey (or `cron`), which allowed students to\ncatch up by reloading\n[MDAnalysis%20Tutorial.ipynb](http://nbviewer.ipython.org/github/dotsdl/MDAnalysis-workshop-notebook-julich/blob/master/MDAnalysis%20Tutorial.ipynb).\n\n\n","project_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fbecksteinlab%2Fmdanalysis-workshop","html_url":"https://awesome.ecosyste.ms/projects/github.com%2Fbecksteinlab%2Fmdanalysis-workshop","lists_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fbecksteinlab%2Fmdanalysis-workshop/lists"}