lambdacasserole
Joined 9 years ago
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Member since
Sep 11
Recent submissions
Comment · 9 years ago
Some great suggestions here, really appreciate you taking the time to list them out!
Comment · 9 years ago
Here's a few famous molecules if people are interested:
Caffeine: https://avogadr.io/?background=3C2923&foreground=E5B273&comp... Wintergreen: https://avogadr.io/?background=1E5454&foreground=D6DCC2&comp... Codeine: https://avogadr.io/?background=350D30&foreground=D0ACE2&comp... Acetone: https://avogadr.io/?background=A03129&foreground=FF9800&comp... THC: https://avogadr.io/?background=113617&foreground=A6BC74&comp... Oxytocin (large molecule): https://avogadr.io/?background=3a0000&foreground=ffc7c7&comp... Ethanol: https://avogadr.io/?background=4B98BC&foreground=D7E5FF&comp...
Comment · 9 years ago
It's certainly crossed my mind, and it'd be great to implement something like that, but the Clojure is just a wrapper around a large and complicated cheminformatics toolkit. Porting the actual rendering library (Java/C++?) would probably be a substantial undertaking.
Comment · 9 years ago
Hey, it's me, avogadr.io guy. The first thing to give out seemed to be the molecule rendering server Sourire (running locally) which is a Clojure webserver wrapper around a cheminformatics toolkit (see GitHub for more info). The molecule rendering server process was crashing for some reason under the load (physical memory, disk space, jury's still out I'm honestly not sure at this point) so the site itself was being served but any requests to Sourire were failing (hence the lack of a molecule in the UI during the hug of death). More RAM/disk space seems to have sorted it out for now and it's holding steady. I guess it comes down to a question of how many molecule renders are possible concurrently on the hardware (including any temp file/cache/RAM cleanup time).