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Вікна...розкрито,...⣀⣀⠤⠠⠒⠒⠒⠂⣖⣒⢤⣶⣐⣒⡠⢄...,...піднято...грати,...Більше...
не...треба...п...⣀⠴⠊⠅⡀⠄⡡⠁⠆⠌⡰⡯⡗⣗⣏⣗⣏⣯⢷⢷⣂...перемагати,...Небо,...яке...ми
...комусь...в...⡴⢁⠐⡐⡠⢈.⡨⠐.⢠⣷⢻⡾⢽⣜⣵⢏⡧⢹⠺⡇⠙⡄...віддали,...Бо...вже...той...
день...кол ікна...розкрито,...під
нято...гра Ph1o6 3ntry 170623_1849 .Більше...не...треба..
.перемагат Небо,...яке...ми...ком
усь...відд...⠨⡒⢀⠢⠈⢌.⣊.⠒⣠⣞⡽⣝⣤⣰⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⡅...дали,...Бо...вже...той...ден
ь...коли......⣇⠁⠥⠰⠐⠄⠁.⠚⡷⣗⣏⣿⢺⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣻⠁.....Вікна...розкрито,...піднят
о...г .не...треба...пер
.відд #code ..той...день...ко
.відд ..той...день...ко
ли... mw is bc with molecular weights, ..............⡠⣠⡏
ли... written as awk filter for chemical ..............⡠⣠⡏
...ро formulas interfacing standard console ............⢀⢤⣾⢏⣰
,...п calculator bc. ...........⠠⢢⣿⣷⣼⣿
,...п ...........⠠⢢⣿⣷⣼⣿
,...Б Simple task, zero dependencies. ..........⡰⣼⣿⣿⣿⣿⡟
,...Б ..........⡰⣼⣿⣿⣿⣿⡟
льше. Inspired by Eni Generalic javascript .......⡠⠒⣩⣴⣿⣿⣿⣿⡟⡡
..т.. calculator ( [1] ). .⠄⠈..⡀.⠂.⢻⣿⠿⡋⠊...
..т.. .⠄⠈..⡀.⠂.⢻⣿⠿⡋⠊...
е...⠐ See pool/srv tarball for script. ⡀...⢀.⢀.⡰⠉...еба.
е...⠐ ⡀...⢀.⢀.⡰⠉...еба.
NAME
mw -- bc with molecular weights
SYNOPSIS
mw [-s SHORTCUTS] [ FORMULA ] *
OVERVIEW
mw is chemical calculator, processing molecular weights of
linear chemical formulas on top of standart unix console cal‐
culator bc.
OPTIONS
-s SHORTCUTS
shortcuts filename
-w write session file
-f FILE
session filename (default is "session")
DESCRIPTION
Usage examples:
$ echo NaCl | mw
$ mw NaCl H2O
$ rlwrap mw
Features:
· custom constant shortcuts (Me -> CH3)
· default peptide shortcuts (Ala-Phe-Cys)
· translated to bc expression (which means precise calcula‐
tion and bc functions like log/ln and so on)
· written as filter program (interactive usage as well as
batch processing)
Molecule format (something like):
Compound = N Molecule [ "*" N Molecule ] *
Molecule = Group + [ - | = | # ] Group + | Group +
Group = Block + | "(" Group + ")" [ N ]
Block = Atom [ N ]
Which means mw will parse something like
KCl*MgCl2*6H2O
as well as
KCl+MgCl2+6H2O
NOTE: because mw is strange mix of pipes, one cannot simply
redirect output to write session and should use session
flags.
· when amino acid shortcut encountered (Ala, Lys, etc.),
compound is calculated as peptide - for each attached
amino acid one water molecule substracted
· amino acids with counters are allowed, e.g. Val3
· cysteine with sulfide bridge is denoted as "Cyz"
Shortcuts file "shortcuts" is first searched in current work,
then in $HOME/.config/mw/shortcuts .
Shortcuts file format:
· lines started with # are comments
· first field is shortcut name consisting of letters with
first capital
· second field is shortcut expression
· fields are separated with whitespace
· other fields are ignored
Example:
Tbu (CH3)3C t-butyl
Ipa (CH3)2CHOH iso-propyl alcohol
Shortcuts are expanded recursively.
SETUP
Example lines in ~/.profile :
export RLWRAP_HOME="${HOME}/.config/rlwrap"
alias mw="rlwrap mw"
BUGS
mw uses mawk (which is default awk for Debian and Ubuntu) for
line buffered output. Switch to other awks manually.
IMPORTANT:
shortcuts are generally source of errors; remember
that shortcuts are fixed, e.g. Ph (C6H5) in phenol
cannot be equal to Ph (C6H4) in hydroquinone; for
really large shortcuts you can always use something
like "HOPhOH - H"
NOTE: remember, that e.g. "PhAla - H" but not "PhAla-H" is
desired to correct shortcuts; further: within molecule
dash "-" is recognized as single bond, so "PhAla-1"
instead of "PhAla - 1" will produce error
IMPORTANT:
shortcuts have higher priority than elements, e.g. Ac
for CH3CO
Custom amino acid shortcuts are not recognized (you can
always use "- H2O" trick).
Since shortcuts are expanded recursively, crossreference may
lead to dead hang.
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Links:
(HTM) [1] http://www.periodni.com/
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..⢂.⡀..⡀⠠.⠄⢀..⠠..⠂.⠂⠂.⢸⣿⣿⣿⣿⢿⣡.⠨......Бо...вже...той...день...коли....Ві
к.⠐⢄.⠁⢄.⠈.⠈.⠄⢈.⠠..⠠.⢀.⢸⣿⡧⠉⢀⡏.⠐...кна...розкрито,...піднято...грати,...Б
і..⢈⡀....⠄⠠.⠐...⠂....⠁⢸⣽⠁.⡜⠁⠔...ільше...не...треба...перемагати,...Небо
Вікна...розкрито,...⣀⣀⠤⠠⠒⠒⠒⠂⣖⣒⢤⣶⣐⣒⡠⢄...,...піднято...грати,...Більше...
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не...треба...п...⣀⠴⠊⠅⡀⠄⡡⠁⠆⠌⡰⡯⡗⣗⣏⣗⣏⣯⢷⢷⣂...перемагати,...Небо,...яке...ми
...комусь...в...⡴⢁⠐⡐⡠⢈.⡨⠐.⢠⣷⢻⡾⢽⣜⣵⢏⡧⢹⠺⡇⠙⡄...віддали,...Бо...вже...той...
нято...гра...⠠⡅⠔.⠅⢊⢈⠐⠄⠂⠆⢀⣿⡱⣯⢋⡼⣮⣎⠇⣘⡤⢇⢩.⡇⡾...ати,...Більше...не...треба..
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усь...відд ..Бо...вже...той...ден
ь...коли.. 2017/2065 // ulcer@sdf.org а...розкрито,...піднят
о...грати, ьше...не...треба...пер
емагати,......⢂⢀⠪⠠⠱⠈⡀⠃.⡀.⡂⢻⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣟⡇....Небо,...яке...ми...комусь..
.віддали,.....⠈⢢⠡⠈⡐⠰⠐⡀⠨⠠⠂⠂⠊⠛⠻⣿⣿⣿⣿⣿⣿⣿⣿⣿⢧⡇.....Бо...вже...той...день...ко
ли....Вікна....⡠⣑⠔⡐⠨.⠆⠄.⠁.⣀⣤⣾⣿⣿⣿⣿⣿⣿⣿⣿⡿⡋.............................⡠⣠⡏
...розкрито,...⡧.⠐⠈⡠⠑⡀⢊⢈⠈.⢸⣿⣿⣿⣿⣿⣿⣿⣿⣿⡿⣕............................⢀⢤⣾⢏⣰
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...грати,...⠠⠉⠉⠁⠉.......⠘⠛⠿⣿⣿⣿⣿⠏⠈.⢄..............................⣠⣿⣿⣿⣿⣿
,...Біл...⢀⠎.........⠄.......⠉⠉....⠈⠂...........................⡰⣼⣿⣿⣿⣿⡟
льше......⡸..................⢠⣀⣄....⣤⠡⢆⡀⡀....................⡠⠒⣩⣴⣿⣿⣿⣿⡟⡡
.не.....⡠⠴⠟⠛⠻⣷⡄..⣀............⠹⠃...⡰⢸⡇...⡅⢂..............⠠.⠈...⣯⣿⣿⣿⣿⣟⠁.
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..⠈⡂⠠..⠆.⠂..⠴⠒⠋⠉....⠠.⡾..⠄⣸⢿⣼⣿⣾⣿⣿⣿⠿⠇.....той...день...коли....Вікна...р
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