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!