DebiChem Project
Summary
Chemical formula/structure editors
DebiChem - kemiske formular/strukur-redigeringsprogrammer

Denne metapakke vil installere skuffer for kemiske strukturer, som kan være nyttige for kemikere.

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
Redigeringsprogram for kemiske strukturer
Versions of package bkchem
ReleaseVersionArchitectures
sid0.13.0-6all
buster0.13.0-6all
squeeze0.13.0-2all
wheezy0.13.0-4all
jessie0.13.0-4all
stretch0.13.0-5all
Debtags of package bkchem:
fieldchemistry
roleprogram
Popcon: 17 users (4 upd.)*
Versions and Archs
License: DFSG free
Git

Bkchem er et frit kemisk tegneprogram, som er skrevet i Python.

Nogle af de funktioner du kan forvente:

  • Tegning (tegning fra binding-til-binding; skabeloner for fælles ringe; udvidelse af fælles grupper; tegner radikaler, ladninger, pile; farveunderstøttelse ...)
  • Redigering (ubegrænset fortryd og gendan; justering; skalering; rotation (2D, 3D) ...)
  • Eksport/import (fuldt understøttet SVG-, OpenOffice.org-Draw-, EPS- eksport; grundlæggende understøttelse af import og eksport af CML1 og CML2 )
Screenshots of package bkchem
Chemtool
Kemisk strukturtegningsprogram
Versions of package chemtool
ReleaseVersionArchitectures
sid1.6.14-6amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x
squeeze1.6.12-1amd64,armel,i386,ia64,kfreebsd-amd64,kfreebsd-i386,mips,mipsel,powerpc,s390,sparc
wheezy1.6.13-1amd64,armel,armhf,i386,ia64,kfreebsd-amd64,kfreebsd-i386,mips,mipsel,powerpc,s390,s390x,sparc
jessie1.6.14-1amd64,armel,armhf,i386
stretch1.6.14-1amd64,arm64,armel,armhf,i386,mips,mips64el,mipsel,ppc64el,s390x
buster1.6.14-3amd64,arm64,armel,armhf,i386,mips,mips64el,mipsel,ppc64el,s390x
bullseye1.6.14-6amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x
Debtags of package chemtool:
fieldchemistry
interfacex11
roleprogram
scopeapplication
uitoolkitgtk
useediting, learning
works-withimage, image:vector
works-with-formatsvg
x11application
Popcon: 34 users (20 upd.)*
Versions and Archs
License: DFSG free
Git

Chemtool er en GTK+-baseret 2D kemisk strukturredigering i X11. Den understøtter mange bindingstyper, de fleste former for tekst, der benyttes i kemisk tegnsætning samt splines, cirkelstykker og kurvede pile.

Tegninger kan eksporteres i formaterne MOL og PDB; SVG og XFig til yderligere påtegninger eller som en PiCTeX-tegning, en bitmap- eller PostScript-fil (flere af disse gennem XFigs hjælpeprogram fig2dev).

Pakken indeholder også et hjælpeprogram, cht, der beregner sumformlen og (eksakt) molvægt af en fil tegnet i chemtool. Cht kan enten kaldes direkte af Chemtool eller fra kommandolinjen.

Please cite: Matthias Brüstle: Chemtool - Moleküle zeichnen mit dem Pinguin. (eprint) Nachr. Chem. 49(11):1310-1313 (2001)
Screenshots of package chemtool
Easychem
Tegn højkvalitets molekyler og 2D kemiske formler
Versions of package easychem
ReleaseVersionArchitectures
jessie0.6-8amd64,armel,armhf,i386
wheezy0.6-7amd64,armel,armhf,i386,ia64,kfreebsd-amd64,kfreebsd-i386,mips,mipsel,powerpc,s390,s390x,sparc
stretch0.6-8amd64,arm64,armel,armhf,i386,mips,mips64el,mipsel,ppc64el,s390x
buster0.6-8amd64,arm64,armel,armhf,i386,mips,mips64el,mipsel,ppc64el,s390x
squeeze0.6-6amd64,armel,i386,ia64,kfreebsd-amd64,kfreebsd-i386,mips,mipsel,powerpc,s390,sparc
bullseye0.6-8amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x
sid0.6-8amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x
Debtags of package easychem:
fieldchemistry
interfacex11
roleprogram
uitoolkitgtk
useediting, learning, viewing
x11application
Popcon: 28 users (14 upd.)*
Versions and Archs
License: DFSG free
Svn

EasyChem er et program som hjælper dig med at oprette højkvalitetsdiagrammer af molekyler og 2D kemiske formler som kan eksporteres til PDF, PS, LaTeX og fig.

EasyChem blev oprindelig udviklet til at oprette diagrammer for kemibøger og bruges nu ofte til dette formål i kommercielle og ikkekommercielle kemirelaterede bøger.

Screenshots of package easychem
Gchempaint
Redigering af 2D-kemiske strukturer til GNOME2-skrivebordet
Versions of package gchempaint
ReleaseVersionArchitectures
buster0.14.17-1.1amd64,arm64,armel,armhf,i386,mips,mips64el,mipsel,ppc64el,s390x
squeeze0.12.4-1amd64,armel,i386,ia64,kfreebsd-amd64,kfreebsd-i386,mips,mipsel,powerpc,s390,sparc
wheezy0.12.12-1amd64,armel,armhf,i386,ia64,kfreebsd-amd64,kfreebsd-i386,mips,mipsel,powerpc,s390,s390x,sparc
jessie0.14.9-1amd64,armel,armhf,i386
stretch0.14.15-1+deb9u1amd64,arm64,armel,armhf,i386,mips,mips64el,mipsel,ppc64el,s390x
bullseye0.14.17-5amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x
sid0.14.17-5amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x
Debtags of package gchempaint:
fieldchemistry
interfacex11
roleprogram
suitegnome
uitoolkitgtk
useediting, learning
x11application
Popcon: 29 users (32 upd.)*
Versions and Archs
License: DFSG free
Git

GChemPaint er et redigeringsprogram til 2D-kemiske strukturer. Programmet har en flerdokument grænseflade. Tegnede molekyler kan søges på NIST Webbook og PubChem.

Other screenshots of package gchempaint
VersionURL
0.14.17-3+b1https://screenshots.debian.net/screenshots/000/019/283/large.png
Screenshots of package gchempaint
Xdrawchem
Redigeringsprogram for kemiske strukturer og reaktioner
Maintainer: Georges Khaznadar
Versions of package xdrawchem
ReleaseVersionArchitectures
squeeze1.9.9-4.1amd64,armel,i386,ia64,mips,mipsel,powerpc,s390,sparc
buster1.10.2.1-2amd64,arm64,armel,armhf,i386,mips,mips64el,mipsel,ppc64el,s390x
bullseye1.11.0-1amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x
sid1.11.0-1amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x
wheezy2.0-2amd64,armel,armhf,i386,ia64,kfreebsd-amd64,kfreebsd-i386,mips,mipsel,powerpc,s390,s390x,sparc
jessie2.0-3amd64,armel,armhf,i386
stretch2.0-6amd64,arm64,armel,armhf,i386,mips,mips64el,mipsel,ppc64el,s390x
Debtags of package xdrawchem:
fieldchemistry
interfacex11
roleprogram
uitoolkitqt
useediting, learning, viewing
x11application
Popcon: 16 users (3 upd.)*
Versions and Archs
License: DFSG free
Git

Xdrawchem er et 2D-redigeringsprogram for kemiske strukturer og reaktioner. Programmet spejler mulighederne i den kommercielle ChemDraw-programpakke og har filkompatibilitet med dette program samt andre kemiske formater via OpenBabel.

Screenshots of package xdrawchem

Packaging has started and developers might try the packaging code in VCS

Osra
optical structure recognition application
Versions of package osra
ReleaseVersionArchitectures
VCS2.0.1-1all
Versions and Archs
License: GPL-2+
Debian package not available
Git
Version: 2.0.1-1

OSRA (Optical Structure Recognition Application) 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) or SD files - computer recognizable molecular structure formats. 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 or SDF representation of the molecular structure images encountered within that document.

Remark of DebiChem team: Packaging was discussed at

http://lists.alioth.debian.org/pipermail/debichem-devel/2009-November/002236.html

*Popularitycontest results: number of people who use this package regularly (number of people who upgraded this package recently) out of 200793