14:45:22drmeisterThis does the following to a protein in a box of waters:
14:45:41drmeisterminimize it -> heat -> pressurize -> run dynamics (simulate the motion)
14:46:15drmeisterThen Cando loads the dynamics coordinates using netcdf/static-vectors and renders a movie using cl-nglview.
14:46:32drmeisterI just need to hide the #$*@!*%! waters and we could see the protein
14:49:51drmeisterOh - and the amber:generate-all-code generates a makefile and scripts that cracauer's distributor distributes to GPU accelerated AWS instances.
14:50:30drmeisterWe can programmatically generate a job that would run thousands of molecular dynamics runs in parallel.
15:18:51drmeisterYeah - I think it's going to be big
15:38:22drmeisterFound it - they've been changing the Javascript out from under us!
15:38:52drmeisterI thought we had pinned the Javascript code we were using for this but clearly not
15:39:28drmeisterIn the Javascript code the RPC call "clearRepresentations" has been changed to "removeAllRepresentations". Once I updated the Common Lisp code it worked fine! ARGH!
21:45:39ShinmeraIf staple docs are published online somewhere, it also only takes a single line of code for me to add lookup into Colleen so you can reference it like the clhs
21:46:07drmeisterIs there something I need to run to build initial documentation?
21:54:59drmeisterI've been coding as fast as I can to get static-vectors and netcdf working so that I can setup AMBER jobs and then visualize the molecular dynamics trajectories with a movie.
21:55:10drmeisterWe have a hackathon on Friday where I'm going to demo this stuff.
21:56:25drmeisterI don't have a lot of time but I thought I could quickly get staple-server up so I can show a documentation server.
21:57:12Shinmeranote that staple-server currently only knows how to document ASDF systems. systems-less stuff like an implementation is something I'll have to think about how to integrate