Geoff Hutchison

I know we're not supposed to advertise on SE, but I wanted to post about Google Summer of Code - both Open Chemistry (wiki.openchemistry.org/GSoC_Ideas_2023) and MDAnalysis (mdanalysis.org/2023/02/22/gsoc2023) are participating - proposals are due 4 April, and anyone new to open source development is eligible to get paid this summer by Google.

Phew. Still don't know the official name for the chat system, but found a trip through the Q&A that was solvable.

Some of these should definitely be more flexible in taking answers.

(rolls eyes)

Yes. I'm on the quiz, but evidently I don't know how to mindlessly review. lol

Aha, I miscounted my "e"s

Now I just need to find two anagrams. (sigh)

Yeah, I wrote a brute-force Python program

(Never mind, got the decoded text .. now to work out which letters.)

@NikeDattani - Great hat! I've looked at the first page, but didn't spot anything besides a rot19. Is there something I'm missing?

Practically speaking, there's only a handful of people who could answer that question. I gave my $0.02 from when I read the paper, but evidently that's not what they did.

@Martin-マーチン and @NikeDattani - I think that question probably has a better audience over here, but I'll have to ask Dave Yaron to find out the true answer. (And he may have forgotten what a student did 4 years ago...)

As a reminder, anyone posting a message in Chat (that gets a star) gets a hat. ;-)

Happy New Year! Hope 2021 goes well for everyone - and a good year for MM.SE

@Martin-マーチン - I added a comment to Meta about scope. I'd personally prefer if more molecular modeling questions went to Chem.SE - but since you're a moderator there, perhaps you might have an opinion? materials.meta.stackexchange.com/a/40/30

Thanks! :-)

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I would love to get the verified hat, thanks.

@Buttonwood - you mentioned Blender. I believe VRML 2 export from Avogadro will import properly into Blender. We also worked on export to the color PLY format which should also preserve surface / mesh options in the next release of Avo2.

@Mithoron - happy hat season!

Happy New Year! Hope 2021 will be a good year for everyone!

Happy New Year's and success in 2020!

BTW, I posted a possible molecular design challenge - feedback welcome before I post it next Monday.

@orthocresol - good luck in applying to grad school. Let me know if you have questions from the admissions side.

I've got a few ideas to start off the "molecular design golf" in 2018. :-)

Happy New Year from Pittsburgh!

@Jan - That's my point - porphryins are planar, but if a slightly non-planar one comes in, the symmetry feature can't find the mirror plane. So we'll need to add a "flatten" command.

:-)

But it should be much easier to teach symmetry soon.

Well, it isn't as a good as a human, since slightly non-planar molecules (e.g., porphryns and phthalocyanines) don't get identified

By the way, Avogadro v2 just learned point groups. :-)

And I'm not just saying that because I'm wearing the t-shirt..

I think it's been a great year for Chem.SE!

Thanks!

Happy New Year and enjoy the hats!

I'd suggest a merge between crystallography and crystal-structure. Many questions seem to be tagged with both. For the purposes of MMSE, I think crystal-structure would be preferred.

Sounds pretty cool, thanks!

I need to get some sleep, but ping me either here or by e-mail.

github.com/OpenChemistry/avogadrolibs/blob/master/avogadro/io/…

Yes. Look at the linking parts in here:

My guess is the easiest is to add an hdf5 portion into the quantumio directory.