21:39:22DVSSAHow do I start cando/clasp? I think it built correctly (last line from build.log 'install_cboehm' finished successfully). Typing clasp/cando in terminal does nothing.
21:41:18drmeisterThat will start it on the command line.
21:41:54DVSSAuse the same path to set it up to work with slime?
21:42:38drmeisterYes - but use the slime repo from github
21:42:47drmeisterOlder slimes don't have clasp.lisp
21:44:21drmeisterThat provisioning script I gave you is for building cando - there are dockerfiles that you can mine in clasp/tools/dockerfiles that show you how to provision a machine for jupyter notebooks or slime.
6:33:53frgoI just woke up. And I still have problems building my extensions. The scraper is behaving differently than two weeks ago. I don't know why yet.
6:34:20drmeisterattila made some changes to the scraper - how is it behaving differently?
6:34:49frgoIt is throwing an "unhandled condition in --disable-debugger mode, quitting"
7:18:04drmeisterThis is for a "free energy perturbation calculation". It involves building molecules that are similar to each other but differ in two different groups that chemists can modify.
7:19:03drmeisterThe built molecules need to be positioned in the active site of the protein in the same pose as a "template" molecule that was mixed with the protein and the complex structure solved using X-ray crystallography.
7:19:38drmeisterThe trick here is to programatically build different candidate molecules and superimpose them on the template molecule and force them into a similar "pose".
7:20:12drmeisterOk - I'm off to bed now - good night folks.