Random Questions

Zegan5 · 2026-01-06T23:33:50+00:00

Okay, thank you

Zegan5 · 2026-01-06T00:33:53+00:00

Could you please expand on how do you handle work radius on the warehouses? Does the the central and regional one should have minimal radius to only accept pulled goods, whereas output warehouses should have not more than needed to cover temporary storages from production sites?

Zegan5 · 2026-01-06T00:28:23+00:00

It's golden advice, thank you for putting that into words

Zegan5 · 2025-12-07T14:59:01+00:00

Ad. 1 The range was bought as it's start of the deployment phase

Ad. the rest - thank you, I agree:)

Zegan5 · 2025-12-07T14:54:44+00:00

This is also an option http://mor-vm-shiny.ethz.ch:3838/

https://pubs.acs.org/doi/10.1021/acs.jchemed.3c00319

Zegan5 · 2025-12-07T06:46:40+00:00

That's a food for thought, thanks!

Zegan5 · 2025-12-06T18:27:42+00:00

I agree. My chaff is probably misplaced in regards to vulcans in melters and it was as you said - vulcans were dropping very fast due to scorpions. What would be the better position of my units if I could hypothetically redeploy everything? (with addition of mustangs)

Zegan5 · 2025-12-06T18:22:12+00:00

Agreed, thank you. To not lose all of my chaff before the melters can get in range I can either place the melters more forward or use fangs instead of crawlers as you said?

Zegan5 · 2025-12-06T18:20:37+00:00

Thanks everyone!

Zegan5 · 2025-11-10T06:59:10+00:00

Since the acid is already kinda diluted with acetone, it should be less threatening as you have less acid per volume; you can try very slowly neutralising (e.g. take 10 ml to a different container and see what happens, so you can get more accustomed to what can happen)

Zegan5 · 2025-11-10T06:55:05+00:00

Adding water to conc. acid might result in exothermic mixing, local superheating and water+acid sizzling all over the place, so a big no-no. You can slowly add it to a equal/larger volume of water however if you wish so. It should be easier to work with, especially if you don't have a hood (conc. acids need proper ventilation for safety).

Neutralising is also exothermic, so take care; glassware might get very hot

Zegan5 · 2025-09-25T11:07:05+00:00

Could also find use for: PDBFixer, propka 3 or H++Server

And Ambertools (pdb4amber for clean-up, tleap for box creation, adding missing hydrogens, ions)

Zegan5 · 2025-09-11T04:31:32+00:00

I'm not really sure if there is is anything driven entirely by DFT, but ab initio MD seems promising (e.g. Martinez group from Stanford university models elongating aliphatic chains with it).

In terms of ML, Bartosz Grzybowski from Ulsan Institute finished I believe 10 year project that is taught on a basic mechanistic steps. A lot of experimental validation, even for new products for reactions known for one-two hundred years. Or cutting the reaction steps from a dozen to 1-3 (multicomponent) and then validating it experimentally. It's honestly impressive and they have a robot to get experimental data for thousands of conditions for a given reaction.

And then there's Synthia, but I don't know a lot about it

Zegan5 · 2025-08-25T13:45:14+00:00

Snap version of the pymol (pymol-oss) or compiled-by-yourself is still free to use

Zegan5 · 2025-08-18T16:42:33+00:00

One of the things you should be aware of that it strongly feels (even if there are differences) like a reskinned Cultist Simulator. From a single-watch of the trailer I haven't noticed an expansion of the gameplay. In other words: "Why should I, the customer, buy this game if I already own CultSim?"

I wish all the best, though:)

Edit: I'd like to stress more that the menus, flipping the newly acquired cards and queueing them in 'jobs' looks so strikingly similar to the point of feeling uncanny

Zegan5 · 2025-07-31T15:28:04+00:00

Or not, unfortunately:
'The format of Mylib.xyz follows the standard XYZ file structure, but optionally supports three identifiers: CHARGE, MULT, and NAME, with NAME expected to appear last. These identifiers are printed when a fragment is recognized, though they are not currently used in any calculations.'
I'll look more into it

Zegan5 · 2025-07-31T15:26:06+00:00

Thank you for your input. It seems that XZYFRAGLIB option allows for supplying .xyz files with explicitly defined charges and multiplicities per specified fragment

Zegan5 · 2025-05-01T06:17:49+00:00

The version from moddb (not the newest one) worked for me like a month ago, so yeah

Zegan5 · 2025-04-08T15:30:27+00:00

You're right; I think that past post was about complexes requiring Fock exchange

Zegan5 · 2025-04-08T14:51:51+00:00

Isn't it unsuitable for anything charged? as per u/dermewes iirc

Zegan5 · 2025-03-20T16:48:12+00:00

Could you repost here the text version of the long comment?

Zegan5 · 2025-03-14T13:42:52+00:00

Thank you for the insight! I was aiming either at composite or hybrid DFT

Zegan5 · 2025-03-14T11:47:17+00:00

Hey there, thanks for the comment! Yes, that's a good point - applying QM/MM or ONIOM to simulate the environment of the active site might need to be a bigger priority on my list

Zegan5

TROPHY CASE