
Avogadr.io – Molecular Wallpaper Generator - gus_massa
https://www.avogadr.io/?showmenu=true
======
pitaj
That's pretty neat. I think a couple improvements would be:

\- Some kind of feedback over whether the compound name is valid or not

\- Validation on the SMILES input

\- Whether it's working on building the picture or not

\- Autocomplete for the compound name

\- Different colors for each element

\- Preset color pallettes

\- List of "cool-looking" or "most often used" compounds

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lambdacasserole
Some great suggestions here, really appreciate you taking the time to list
them out!

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AdamJacobMuller
Nice Service!

Would also suggest adding the ability to set the size of the rendered image.
Especially for picking sizes for devices.

Also, if you want to make some pocket change from this, link it to cafepress
and let me self-print molecules on a bunch of things (stickers!).

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supernumerary
Stress Test:
[https://www.avogadr.io/?background=0176ff&foreground=38ce72&...](https://www.avogadr.io/?background=0176ff&foreground=38ce72&compound=Maitotoxin)

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grzm
Anyone have the SMILE representation of their genome?

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lambdacasserole
Here's a few famous molecules if people are interested:

Caffeine:
[https://avogadr.io/?background=3C2923&foreground=E5B273&comp...](https://avogadr.io/?background=3C2923&foreground=E5B273&compound=caffeine)
Wintergreen:
[https://avogadr.io/?background=1E5454&foreground=D6DCC2&comp...](https://avogadr.io/?background=1E5454&foreground=D6DCC2&compound=Methyl2-hydroxybenzoate)
Codeine:
[https://avogadr.io/?background=350D30&foreground=D0ACE2&comp...](https://avogadr.io/?background=350D30&foreground=D0ACE2&compound=codeine)
Acetone:
[https://avogadr.io/?background=A03129&foreground=FF9800&comp...](https://avogadr.io/?background=A03129&foreground=FF9800&compound=acetone)
THC:
[https://avogadr.io/?background=113617&foreground=A6BC74&comp...](https://avogadr.io/?background=113617&foreground=A6BC74&compound=thc)
Oxytocin (large molecule):
[https://avogadr.io/?background=3a0000&foreground=ffc7c7&comp...](https://avogadr.io/?background=3a0000&foreground=ffc7c7&compound=Oxytocin)
Ethanol:
[https://avogadr.io/?background=4B98BC&foreground=D7E5FF&comp...](https://avogadr.io/?background=4B98BC&foreground=D7E5FF&compound=ethanol)

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NTripleOne
Since you mentioned it, THC and tetrahydrocannabinol are the same... but
different. I don't know enough about these kinds of diagrams to know what the
differences are - but surely they should be the same?

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gilleain
It looks like "THC" and "tetrahydrocannabinol" resolve to different isomers.
One has wedges (stereo information) and they have different double bond
positions (the double lines).

The problem here is naming compounds - a name like "THC" is not precise enough
to distinguish between these isomers. A more exact name could be "(–)-trans-
Δ⁹-tetrahydrocannabinol" (from wikipedia).

~~~
NTripleOne
Ah, interesting - thanks. I'll be honest chemistry never really was my strong
point (I much preferred the more practical aspect of physics in school) - I
try to pick up what I can from creators such as codyslab, nilered, nurdrage,
etc, but I guess my attention to it falls in the "interesting but not
interested" category, for lack of a better term.

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erichdongubler
This poor site is now experiencing the HN hug of death...

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overcast
I'm curious as to what type of hardware these sites that can't handle HN
traffic are running on? I've had a project go front page before, and it was
nothing a $10 droplet couldn't handle. A few hundred concurrent users is
nothing for a webserver/database.

~~~
progval
It also depends on what one runs on it. This website seems to dynamically
generate images (3D, maybe?), and send them to clients.

~~~
overcast
I'll give to this one in particular, but blogs have had the same effect. It's
bizarre when commodity hardware is so powerful these days.

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DonHopkins
PCP looks as evil as it really is. The one drug that everything the government
tells you about it is true.

[https://www.youtube.com/watch?v=tFUvmZWf4hI](https://www.youtube.com/watch?v=tFUvmZWf4hI)

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tuyguntn
[https://www.avogadr.io/?background=5f0000&foreground=ce3838&...](https://www.avogadr.io/?background=5f0000&foreground=ce3838&compound=Olympiadane)

[https://www.avogadr.io/?background=5f0000&foreground=ce3838&...](https://www.avogadr.io/?background=5f0000&foreground=ce3838&compound=Uranocene)

[https://www.avogadr.io/?background=5f0000&foreground=ce3838&...](https://www.avogadr.io/?background=5f0000&foreground=ce3838&compound=Gossypol)

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supernumerary
[https://www.avogadr.io/?background=5f0000&foreground=ce3838&...](https://www.avogadr.io/?background=5f0000&foreground=ce3838&compound=mdma)

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supernumerary
[https://www.avogadr.io/?background=0176ff&foreground=38ce72&...](https://www.avogadr.io/?background=0176ff&foreground=38ce72&compound=psilocybin)

~~~
tom_wilde
oO that's so awesome!

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unkown-unknowns
[https://www.avogadr.io/?background=005f2f&foreground=00ff04&...](https://www.avogadr.io/?background=005f2f&foreground=00ff04&compound=LSD)

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kwhitefoot
Interesting. But it lacks a lot of simple compounds. For instance it doesn't
recognize ethyne or acetylene only ethylene. These are all different names for
the same thing but ethyne is the systematic name. Similarly it recognizes
propane and propene but not propyne, but does recognize methyl ethylene.

This is a bit odd because all of those names are regular constructions that
indicate the composition in formally defined ways.

Still fun though!

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ackermann-m-n
[https://www.avogadr.io/?background=5f0000&foreground=ce3838&...](https://www.avogadr.io/?background=5f0000&foreground=ce3838&smiles=CCN\(CC\)C\(%3DO\)%5BC%40H%5D1CN\(%5BC%40%40H%5D2Cc3c%5BnH%5Dc4c3c\(ccc4\)C2%3DC1\)C)

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plaguuuuuu
why does "caffeine" look different to "caffiene"?

(I wanted to see how it would handle typos)

~~~
zdkl
-iene suffix denotes the presence of a particular kind of electronic bond within the molecule, with different properties to typical electron bonds.

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pdm55
Any source for SMILES of molecules?

My methane is crazy.
[https://www.avogadr.io/?background=5f0000&foreground=ce3838&...](https://www.avogadr.io/?background=5f0000&foreground=ce3838&smiles=CH4)

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jagger27
Notice it says BaCKUP. I think it's just a placeholder.

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grzm
Nice. I didn't notice that.

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pdm55
Thanks. Yes, methane is simply C.

Also, I found this:
[https://cactus.nci.nih.gov/chemical/structure](https://cactus.nci.nih.gov/chemical/structure)
which can convert a chemical name to SMILES notation.

The Wikipedia entry for SMILES has lots of links to software utilities at the
end of the article: [https://en.wikipedia.org/wiki/Simplified_molecular-
input_lin...](https://en.wikipedia.org/wiki/Simplified_molecular-input_line-
entry_system)

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column
[https://en.wikipedia.org/wiki/List_of_chemical_compounds_wit...](https://en.wikipedia.org/wiki/List_of_chemical_compounds_with_unusual_names)

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howderek
This is super cool! However, I notice that the generated PNG isn't high enough
resolution for Retina or other High-DPI displays. It would be great if this
gave the option to export different sizes.

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dna_polymerase
Nice! I love the visualization for dihydrogen monoxide.

~~~
glandium
That's really scary stuff.
[http://www.dhmo.org/facts.html](http://www.dhmo.org/facts.html) /s

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comencan
Nice! I love the visualization for Crystal Meth.

