Summary
Chemical Formula/Structure Editors
DebiChem chemical formular/structure editors
This metapackage will install drawers for chemical structures which might be
useful for chemists.
Description
For a better overview of the project's availability as a Debian package, each head row has a color code according to this scheme:
If you discover a project which looks like a good candidate for DebiChem
to you, or if you have prepared an unofficial Debian package, please do not hesitate to
send a description of that project to the DebiChem mailing list
Links to other tasks
|
DebiChem Chemical Formula/Structure Editors packages
Official Debian packages with high relevance
bkchem
Editor chemických struktur
|
Versions of package bkchem |
Release | Version | Architectures |
sid | 0.14.0~pre4+git20211228-5 | all |
jessie | 0.13.0-4 | all |
stretch | 0.13.0-5 | all |
buster | 0.13.0-6 | all |
bookworm | 0.14.0~pre4+git20211228-3 | all |
trixie | 0.14.0~pre4+git20211228-5 | all |
Debtags of package bkchem: |
field | chemistry |
role | program |
|
License: DFSG free
|
BKchem je svobodný chemický kreslicí program napsaný v Pythonu.
Mezi jeho vlastnosti patří:
* Kreslení (postupné spojování; šablony běžných kruhů; rozšiřování běžných
skupin; kreslení radikálů, nábojů, šipek; podpora barev ...)
* Úpravy (neomezený počet kroků zpět/opakovat; zarovnávání; změna měřítka;
rotace (2D, 3D) ...)
* Export/import (kompletní podpora exportu do SVG, OpenOffice.org-Draw, EPS;
základní podpora importu a exportu CML1 a CML2)
|
|
chemtool
chemical structures drawing program
|
Versions of package chemtool |
Release | Version | Architectures |
jessie | 1.6.14-1 | amd64,armel,armhf,i386 |
buster | 1.6.14-3 | amd64,arm64,armhf,i386 |
bullseye | 1.6.14-6 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
bookworm | 1.6.14-6 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
trixie | 1.6.14-6 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
sid | 1.6.14-6 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
stretch | 1.6.14-1 | amd64,arm64,armel,armhf,i386,mips,mips64el,mipsel,ppc64el,s390x |
Debtags of package chemtool: |
field | chemistry |
interface | x11 |
role | program |
scope | application |
uitoolkit | gtk |
use | editing, learning |
works-with | image, image:vector |
works-with-format | svg |
x11 | application |
|
License: DFSG free
|
Chemtool is a GTK+ based 2D chemical structure editor for X11. It
supports many bond styles, most forms of text needed for chemical
typesetting and splines/arcs/curved arrows.
Drawings can be exported to MOL and PDB format, SVG or XFig format for
further annotation, as a PiCTeX drawing, as a bitmap or as Postscript
files (several of these through XFig's companion program fig2dev).
The package also contains a helper program, cht, to calculate sum
formula and (exact) molecular weight from a chemtool drawing file. Cht
can either be called directly by Chemtool or on the console.
|
|
easychem
Vykreslí molekuly a chemické vzorce
|
Versions of package easychem |
Release | Version | Architectures |
stretch | 0.6-8 | amd64,arm64,armel,armhf,i386,mips,mips64el,mipsel,ppc64el,s390x |
buster | 0.6-8 | amd64,arm64,armhf,i386 |
bullseye | 0.6-9 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
bookworm | 0.6-9 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
trixie | 0.6-9 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
jessie | 0.6-8 | amd64,armel,armhf,i386 |
sid | 0.6-9 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
Debtags of package easychem: |
field | chemistry |
interface | x11 |
role | program |
uitoolkit | gtk |
use | editing, learning, viewing |
x11 | application |
|
License: DFSG free
|
EasyChem je program, který vám pomůže s vytvářením vysoce kvalitních
diagramů molekul a chemických vzorců (2D), které je možno exportovat
do formátu PDF, PS, LaTeX a fig.
EasyChem byl původně vytvořen pro vytváření diagramů do chemických knih
a nyní se často používá pro komerční i nekomerční účely vytváření těchto
publikací.
|
|
gchempaint
Editor 2D chemické struktury pro desktop GNOME2
|
Versions of package gchempaint |
Release | Version | Architectures |
sid | 0.14.17-6.2 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
jessie | 0.14.9-1 | amd64,armel,armhf,i386 |
stretch | 0.14.15-1+deb9u1 | amd64,arm64,armel,armhf,i386,mips,mips64el,mipsel,ppc64el,s390x |
buster | 0.14.17-1.1 | amd64,arm64,armhf,i386 |
bullseye | 0.14.17-6 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
bookworm | 0.14.17-6.1 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
Debtags of package gchempaint: |
field | chemistry |
interface | x11 |
role | program |
suite | gnome |
uitoolkit | gtk |
use | editing, learning |
x11 | application |
|
License: DFSG free
|
GChemPaint je editor 2D chemických struktur s rozhraním podporujícím
otevření více dokumentů. Hotové molekuly je možno hledat na NIST Webbook
a PubChem.
|
|
osra
optical structure recognition
|
Versions of package osra |
Release | Version | Architectures |
bookworm | 2.1.3-3 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
trixie | 2.1.3-3 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
sid | 2.1.3-3 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
|
License: DFSG free
|
OSRA is a utility designed to convert graphical representations of
chemical structures, as they appear in journal articles, patent documents,
textbooks, trade magazines etc., into SMILES (Simplified Molecular
Input Line Entry Specification) - a computer recognizable molecular structure
format. OSRA can read a document in any of the over 90 graphical formats
parseable by ImageMagick - including GIF, JPEG, PNG, TIFF, PDF, PS etc., and
generate the SMILES representation of the molecular structure images
encountered within that document.
|
|
xdrawchem
Chemical structures and reactions editor
|
Versions of package xdrawchem |
Release | Version | Architectures |
trixie | 1.11.1-2 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
sid | 1.11.1-2 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
buster | 1.10.2.1-2 | amd64,arm64,armhf,i386 |
stretch | 2.0-6 | amd64,arm64,armel,armhf,i386,mips,mips64el,mipsel,ppc64el,s390x |
jessie | 2.0-3 | amd64,armel,armhf,i386 |
bullseye | 1.11.0-2 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
bookworm | 1.11.0-4 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
Debtags of package xdrawchem: |
field | chemistry |
interface | x11 |
role | program |
uitoolkit | qt |
use | editing, learning, viewing |
x11 | application |
|
License: DFSG free
|
Xdrawchem is a 2D editor for chemical structures and reactions. It
mirrors the abilities of the commercial ChemDraw suite and has file
compatibility with it as well as other chemical formats through
OpenBabel.
This packaged version comes from a fork available at
https://gitlab.com/yamanq/xdrawchem, as the previous version was no
longer actively maintained. More information about it in the copyright
file.
|
|
|