The Periodic Table

PH13

7:18 AM

o/

Stack Exchange

8:15 AM

0

Q: Automatically Centered Images

I like it when the images in posts are centered because for me the whole post looks a little bit more professional. Therefor I use currently the hskip command: $\hskipXin$ with X being some real value, e.g., .5., 1, 2, ... But doing this all the time manually, which includes the need to...

PH13

11:25 AM

@Wildcat ping ping ping

Wildcat

11:36 AM

@PH13, pong pong pong! :D

PH13

woohoo ... I thought I was forever alone

Wildcat

We're born alone, we live alone, we die alone. Only through our love and friendship can we create the illusion for the moment that we're not alone.

:(

PH13

that's somehow even more depressing xD

you know a little about python, right?

Wildcat

just a little

PH13

because there is this script from the rdkit cookbook: rdkit.org/docs/Cookbook.html#parallel-conformation-generation

Wildcat

11:40 AM

since I don't quite like it, I never learn it in any systemic fashion

let's see....

ok, there is a script :D

PH13

and there are those two plugins that need to be installed ... futures and progressbar ... do you know how this works? :C

Wildcat

which OS?

PH13

lubuntu

python 2.7.6

Wildcat

do you have pip installed?

pypi.python.org/pypi/pip

PH13

do I have pip installed ...

Wildcat

11:42 AM

just try to run pip from terminal

$ pip

PH13

pip 1.5.4 from /usr/lib/python2.7/dist-packages (python 2.7)

Wildcat

great!

then try to install the stuff by using pip

pip install progressbar

PH13

pip install package?

Wildcat

yes, basically

PH13

does it load them by its own?

Wildcat

11:44 AM

it will download and install packages where appropriate

PH13

when doin so, pip states that the requirements are already satisfied ... I guess my former installation tries were crowned by success, right?

Wildcat

if it does tell you that the package is already installed then yes, it is already installed

PH13

but the script keeps making me angry ... it tells me:

Wildcat

:D

PH13

[13:45:46] WARNING: no name column found on line 0
Traceback (most recent call last):
File "CSearch.py", line 53, in <module>
for job in pbar(futures.as_completed(jobs)):
TypeError: 'ProgressBar' object is not callable

Wildcat

11:47 AM

Well, the script is from 2012. Probably, ProgressBar API have changed over few years, so that script has to be modified.

PH13

nooooooooo

worst case ... change something that you merely understand

Hi @utnapistim

Wildcat

Let me tell ya something

Python sucks. Period.

:D

PH13

xD

I guess I really need to formulate my question to maybe get a reasonable conf-search method

but it's somehow funny. if I remember correctly, you wanted to burn openbabel because it's a mess and you want to use rdkit because it's not a mess. but rdkit depends on python, so now what? :D

Wildcat

RDKIt is not entirely written in Python. In fact the core is written in C++ and there basically Python bindings.

Same for OpenBabel, btw.

PH13

ok

Wildcat

11:56 AM

It is also written in C++.

Not quite in C++, but who cares.

:D

PH13

but the common way for interaction is python, right?

Wildcat

The common, yes.

Python is popular. But it is a crap. And there is no contradiction there. Pop music is also popular and crappy. XD

PH13

good comparison

Wildcat

Popularity is not related to quality. Popular things might be of really good quality, but might be not as well.

PH13

@utnapistim hello o/ o\ o/ o\ o/

but then again it's not that hard and one can get fast and easy little programs that work without the need for learning a complex programming language as c++

Wildcat

12:01 PM

yeah, ah, well

what is wrong with this arguments

is that you're trying to make Python look less crappy by comparing it to the most crappiest language of all times XD

PH13

ok ... I thought it must be good as it is very common and very fast for comp chem stuff

Wildcat

and btw modern C++ is not that complex

PH13

seems to be the fastest language

what's your preferred programming language?

Wildcat

i dislike all of them XD

for different reasons

from the recently developed D & Go looks relatively fine

Fortran is also a fine language but only for number crunching

But I have to say that I'm 100% imperative programmer who never touched functional programming world. There might be few good languages out there as well.

I have no idea.

:D

PH13

ok ^^

Wildcat

12:08 PM

And the main thing: most of the time language does not matter.

It matters only in the beginning (when one starts to learn programming).

PH13

sure ... not so steep learning curves ;)

Wildcat

Yes, but simplicity is one of the most complicated things. :D

PH13

absolutely

Wildcat

Python is not simple despite the popular claim.

You see, the 10-lines script breaks in a couple of years.

Simple?!

:D

PH13

^^

afk for a few mins

PH13

12:35 PM

so ...

Wildcat

so ...

PH13

sooo ...

Wildcat

nooo ...

another "do my homework" question ...

:(

PH13

our beloved hw questions

Wildcat

and their even more beloved authors :D

Loong

12:47 PM

@PH13 Unleash the hounds!

already unleashed

=O.O=

in The h Bar, 18 hours ago, by obe

PSE says: Formulate your homework question in such a way that it doesn't look like a homework question even though in reality it is still a homework question.

PH13

@Loong that would mean that the OPs had at least to think a little ... that's too much effort

santiago

12:52 PM

damn lazy homework mooches

Loong

Yes. Our teacher asked us to use any way of gathering data. — Jared Victor 2 mins ago

Wildcat

:D

santiago

We are not a homework completion service — santiago 23 secs ago

Loong

damn lazy teachers

PH13

@Loong trve story

santiago

12:54 PM

damn lazy teachers and lazy student homework leeches

Wildcat

Damn lazy humans!

santiago

damn damned damnations

PH13

youtube has a link for everthing ... dayum!!!!

Wildcat

Threatening such a "teacher" should be considered as a source of gathering a data.

:D

PH13

yes xD

santiago

12:58 PM

Then show your answers in the question - read and follow the guidelines or this question will be closed. — santiago 1 min ago

Wildcat

Thermorectal analysis should be allowed!

PH13

xD

santiago

you can do that

Wildcat

I have my answers. But I just need to compare my answers(unsure) to other people.

PH13

oh, hi @santiago o/

Wildcat

12:59 PM

lol

santiago

lol

PH13

|o_ _o|

santiago

homework leeches are irritating

laziness ought to be punished with impunity

lol

that user has edited his questions.... I don't think that it is sufficient

PH13

I mean, there are his answers

Wildcat

PUNISH THEM!

santiago

1:07 PM

not much in the way of eplanations

PH13

I'm sure after 100 comments directing him, they will be there g

santiago

bah

Wildcat

Yes. We have to PUNISH them!

PUBLICLY!

:D

santiago

and ruthlessly

Wildcat

and ASAP!

Before mods come. XD

santiago

1:09 PM

and yesterday

Wildcat

OK. So... I can piss in their shoes! :D

santiago

i thought you already did...or was that me?

Wildcat

Neither. I have no idea who did that. I have not seen anything. :D

santiago

Please explain why you came up with your answers and what specifically is causing confusion. — santiago 24 secs ago

Loong

@Wildcat hm

santiago

1:13 PM

eeek mod!

hides behind @PH13

Wildcat

/me runs away

:D

PH13

@Loong yes ... I am ... alone ... here

santiago

alone with his ellipses

Loong

@PH13 ok, go on

PH13

like ... forever ... alone

Wildcat

1:15 PM

So, do they delete answers on hw questions ob Physics.SE?

PH13

what would jean-luc say? make it so!

Loong

@Wildcat No, they migrate them to math.stackexchange.com ;-D

santiago

lol

PH13

we should consider that too

santiago

only if the question is closed

PH13

1:19 PM

every hw question

directly

Wildcat

I like the hw policy on SE network, but...

PH13

maybe there could be a trashbin.se

Loong

-6

Q: Migrate Homework to Math.SE instead of close?

Why not migrate the low-level "check my answer" type questions to math.se where they are receptive to them? The "Economics" Stackexchange never made it out of Beta: there were so many beginner's level questions that no experts could stand the place. The "quantitative finance" site however has ...

discussion

Wildcat

Ironically, the original trilogy sites are full of hw-like questions. :D

santiago

hw with effort is okay

Wildcat

1:20 PM

@santiago, sure. But only with effort.

Effort means at least RTFM.

santiago

@Wildcat the ones I have answered I have recognised effort

if no effort, then I lecture them in the comments

Wildcat

@santiago, you are a very good SO user.

Then some rephore kid comes answer it and gets 100500 upboats.

XD

The typical way SO works.

BURN IT!

santiago

@Wildcat SO = stack overflow? nah, I suck there - 4 answers only (+3, +3, +1 (and accept) and +0)

Wildcat

@santiago, yes, Stack Overflow.

SE does not suck primarily because the right hw policy.

santiago

all my answers there are under the documentation tag

Wildcat

1:23 PM

Most of SE sites I've seen, I mean.

santiago

i thnk our hw policy is okay

Wildcat

undoubtedly

santiago

i am biased cause I tend to answer a number of good ones

Wildcat

I occasionally also do answer hw questions, but only those which are in accordance with the guidelines.

santiago

my best tag is homework

Wildcat

1:27 PM

well, I have only 4 post in this tag :D

out of which 1 is not a hw question clearly

:D

Loong

chemistry.stackexchange.com/help/badges/89/homework

santiago

omg omg omg

Wildcat

@Loong, anyone with silver badge?

Loong

@Wildcat no

Wildcat

yea, found it :D

santiago

1:30 PM

@Wildcat working on it :P

Wildcat

@ron has 221 points, and IIRC one need 400 to get the silver badge

PH13

I somehow want to achieve the tumbleweed one

Wildcat

@PH13, tumblwhat? :O

PH13

@Wildcat Tumbleweed: Asked a question with zero score, no answers, no comments, and low views for a week

Wildcat

@PH13, XD

Loong

1:32 PM

chemistry.stackexchange.com/help/badges/40/tumbleweed

Awarded 171 times!

PH13

in title: please don't view, need tumbleweed

santiago

lol

then it gets the old Popular Question badge...

Wildcat

no one cares about your question badge

fun one

:D

santiago

eh?

Wildcat

chemistry.stackexchange.com/help/…

1 gold badge only

:D

chemistry.stackexchange.com/help/…

4 silver

santiago

1:36 PM

of course - to the Emperor @ron!

Wildcat

and only 1 of them is not o-chem

damn

o-chem is overpopular

santiago

i wonder if I'll get the gold hw tag...

Wildcat

well, eventually you'll get one :D

it is just the matter of time

santiago

in the 45th century...lol

Loong

not as long as you close all questions

Wildcat

1:38 PM

XD

Loong

new hw gold badge: closed 1000 homework questions

santiago

lol, slapped 1000 homework vampires

Wildcat

van-helsing badge

santiago

indeed!

I like it!

Wildcat

should be only silver one

:D

no bronze, no gold

santiago

1:40 PM

lol

PH13

approved

santiago

my favourite question - chemistry.stackexchange.com/q/33823/15489

PH13

@Wildcat once more I need your help ... do you know what "Export the fafoom directory to you PYTHONPATH" means? after how to use: github.com/adrianasupady/fafoom

Wildcat

@PH13, well PYTHONPATH is just an environment variable.

PH13

in bashrc?

Wildcat

1:47 PM

export PYTHONPATH=$PYTHONPATH:fafoom directory path

in ~/.profile

PH13

♥

Wildcat

i guess

but different distros has different recommended places to do this env.vars. tuning

help.ubuntu.com/community/EnvironmentVariables

santiago

one day I intend to add Python to my list of programming languages

PH13

@santiago don't ask @Wildcat on that

santiago

lol

would it be a catastrophe?

PH13

1:54 PM

xD ... no

but it's not recommended g

Wildcat

@PH13, lol. I'm fine with someone learning Python. As long as he/she admits that it is a crap. XD

santiago

lol

PH13

problems over problems here .... I git-cloned the fafoom-stuff now but where is it? xD

I'm programming task vampire

@Wildcat URGENT HALP PLZ ... NEED YESTERDAY!!!

santiago

lol

PH13

2:09 PM

!!!1111!!!!!!1111 ? :3

found it. thank you @Wildcat

Wildcat

=O.O=

PH13

good kitty :3

Wildcat

3:15 PM

Got upboat from simple Wiki quote answer! :D

PH13

woohoo

I don't understand that program :C

Wildcat

:D

Which one?

PH13

fafoom

my new try for conformer generation

github.com/adrianasupady/fafoom

after executing their example there is a sdf file with one structure inside

either this is intended and it is the assumed global minimum or this is just one representation ... another point is, where are the other conformers? there is a backup_population.dat that has them insider (at least I think that they are the conformers) but I'm not sure about that

omg ... why can't that be easy ... xD

it's also funny ... the SMILES code for the example structure is CC(=O)N[C@H](C(=O)NC)C and there are two parameters for "smart" detection of cis/trans and torsion structures inside the 3D structure ... while smart_cistrans= "C~[$(C=O)]-[$(NC)]~[C]" is somehow understandable, smart_torsion= "[]~[!$(*#)&!D1]-&!@[!$(#)&!D1]~[*]" for is simply: WAT

maybe in a few minutes I see a green wall of my posts

inɒzɘmɒЯ.A.M

4:26 PM

\o @Wild kitty!

Man!

That was an exhausting day.

Now I need @PH13 to cheer me up.

PH13

M.A. clap clap clap M. A. clap clap clap

inɒzɘmɒЯ.A.M

Wildcat

@inɒzɘmɒЯ.A.M, hello there!

inɒzɘmɒЯ.A.M

Hello here! How're you doin'?

Wildcat

Fine. Upboats are coming for me today! :D

inɒzɘmɒЯ.A.M

4:30 PM

Heh. Pfft.

102

A: How do we encourage edits to obsolete/out of date answers?

My vote is for Obsolete answer. As you have stated, the sorting would stop the new answer from being on top, which means the obsolete info is what the curious guy with the same question will face. This is a big con of adding a new answer, as I've seen lots of better newer answers not getting mor...

I got a great answer for that.

102 upvotes ... omg

ᕙ(⇀‸↼‶)ᕗ

iron man

No wonder you think that cute ball is Iron man. Classic German.

PH13

;D

@Wildcat doz nut want 2 halp me :E

at least anymore

@inɒzɘmɒЯ.A.M force him to do so

inɒzɘmɒЯ.A.M

4:38 PM

@PH13 Hush, he's chasing a mouse.

Wildcat

Günter Wächtershäuser

Günter Wächtershäuser (born 1938 in Gießen), a German chemist turned patent lawyer, is mainly known for his work on the origin of life, and in particular his iron-sulfur world theory, a theory that life on Earth had hydrothermal origins. The theory is consistent with the hypothesis that life originated near seafloor hydrothermal vents. == Biographical background == Wächtershäuser, a chemist by training, has been an international patent lawyer in Munich since 1970. He has published numerous articles in organic chemistry, genetic engineering and patent law, and has made contributions to evolutionary...

Mother of God!

How do I supposed to PRONOUNCE his name?!

inɒzɘmɒЯ.A.M

Yep. German.

@Wildcat DON'T.

Wildcat

=>.<=

PH13

@Wildcat you know how french people pronounce u ?

inɒzɘmɒЯ.A.M

Like French people.

Pfft. That was easy.

Wildcat

4:40 PM

@PH13, no. :D

PH13

again ... your wise answers inspire me to precise my questions

@inɒzɘmɒЯ.A.M

@Wildcat hmmmmm

inɒzɘmɒЯ.A.M

@PH13 -1 HW dump.

Wildcat

@PH13, is this a correct pronunciation? forvo.com/word/w%C3%A4chtersh%C3%A4user

PH13

in principle yes ... but a strange voice ... take translate.google.de/#de/en/… this one from google but a) not so slow and b) not so robot-ish

Wildcat

вэхтасхойза XD

PH13

4:44 PM

looks like an appropriate transscription

Wildcat

Sounds so... German. :D

PH13

indeed

inɒzɘmɒЯ.A.M

@Wildcat YOU - MEAN -GER- MAN?

PH13

@Wildcat this one sounds good ... but only with Claudia ... xD

Wildcat

@PH13, after few minutes I can pronounce it...

PH13

4:50 PM

perfect

Wildcat

/me trying to take care about pronunciation of names

inɒzɘmɒЯ.A.M

Try pronouncing my name.

Wildcat

should not be too dificult

inɒzɘmɒЯ.A.M

You have to do it backwards, and in British mode.

Wildcat

@inɒzɘmɒЯ.A.M, challenge accepted! XD

Well, at least it is easier than in Farsi. :D

PH13

4:56 PM

sounds farsi like arabic?

inɒzɘmɒЯ.A.M

Reloads his ~~shotgun~~ name

@PH13 Not really.

Pronouncing Farsi stuff is WAAAAY easier.

PH13

for me pronouncing german stuff is also very easy ;)

Wildcat

@PH13, Farsi is Persian.

PH13

I know that

Wildcat

@PH13, I mean it is a different language from Arabic.

PH13

4:58 PM

I know that ^^

but that does not mean that it cannot sound similar

inɒzɘmɒЯ.A.M

They sound way more similar than two arbitrary languages though.

PH13

maybe it's like dutch vs german

inɒzɘmɒЯ.A.M

Closer than that. They say 60% of all Persian vocabulary is originated from Arabic.

Wildcat

Persian language

Persian (/ˈpɜrʒən/ or /ˈpɜrʃən/), also known as Farsi (English: /ˈfɑːrsiː/; Persian: فارسی fārsi [fɒːɾˈsiː]), is the predominant modern descendant of Old Persian, a southwestern Iranian language within the Indo-Iranian branch of the Indo-European languages. It is primarily spoken in Iran, Afghanistan (officially known as Dari since 1958 for political reasons), and Tajikistan (officially known as Tajiki since the Soviet era for political reasons), and some other regions which historically came under Persian influence. The Persian language is classified as a continuation of Middle Persian, the official...

Native to

Iran[1]
Afghanistan[1] (as Dari)

Tajikistan[1] (as Tajik)
Uzbekistan (as Tajik)
Iraq[2]
Russia[3][4]
Azerbaijan[5]

Russia?! =O.O=

PH13

"red" friends? ^^

inɒzɘmɒЯ.A.M

5:10 PM

@PH13 Bloody friends.

Wildcat

The Cyrillic alphabet was introduced for writing the Tajik language under the Tajik Soviet Socialist Republic in the late 1930s, replacing the Latin alphabet that had been used since the Bolshevik revolution and the Persian script that had been used earlier. After 1939, materials published in Persian in the Persian script were banned from the country.

Heh, Cyrillic alphabet!

At least I can read that! XD

inɒzɘmɒЯ.A.M

I can't read that.

Wildcat

:D

1-1

We have a tie!

PH13

lol

day-z made me "learn" how to read a little cyrillic

and I once learned a little arabian but now it's just enough to somehow guess what is written xD

inɒzɘmɒЯ.A.M

@Wildcat HOW YOU DARE!

I'm tetra-lingual.

Persian, Turkish, Arabic, English.

I alscho knowsch somesch Germansch ifsch Isch talksch likesch disch. DIE!

PH13

5:23 PM

@inɒzɘmɒЯ.A.M seems legit

Wildcat

:D

PH13

5:51 PM

@diffracteD o/

inɒzɘmɒЯ.A.M

6:11 PM

@PH13 I wrote an answer to your last meta thingy.

PH13

I saw it, thank you

funny joke, including @Wildcat

inɒzɘmɒЯ.A.M

Yeah.

Wildcat

What?

inɒzɘmɒЯ.A.M

Look at the last meta answer.

Wildcat

approved

:D

PH13

6:18 PM

"at the beginning" or "in the beginning"? ... or a better version?

inɒzɘmɒЯ.A.M

Depends.

PH13

90/10 or 50/50?

inɒzɘmɒЯ.A.M

60/40.

Gimme context.

The sentence you wanna use it in.

PH13

the thingies in/at the beginning and at/in the end are known to me

URGENT @inɒzɘmɒЯ.A.M

HALP PLZ

Wildcat

cnet.com/news/…

Scientist: Cats think you are just a big, stupid cat

XD

PH13

6:25 PM

cats think humans are bigger cats with better meals

Wildcat

Humans were meals themselves for cats not so long ago!

:D

PH13

in africa they are meals from time to time g

PH13

6:58 PM

@inɒzɘmɒЯ.A.M now you can see my at/in related question

On ELL?

here

In chat?

just contains the stuff ... is not about it g

1

Q: Some unclear SMILES patterns

In the example calculation from the conformer search package fafoom is a mysterious pattern that I'd like to understand. The Smiles code of the given example structure is: CC(=O)N[C@H](C(=O)NC)C There is a first not so hard pattern for the smart_cistrans pattern identifier C~[$(C=O)]-[$(NC)]...

computational-chemistry software conformers

inɒzɘmɒЯ.A.M

OMG who upcoated that?

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