DebiChem Project
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 de estructuras químicas
Versions of package bkchem
ReleaseVersionArchitectures
sid0.14.0~pre4+git20211228-5all
jessie0.13.0-4all
stretch0.13.0-5all
buster0.13.0-6all
bookworm0.14.0~pre4+git20211228-3all
trixie0.14.0~pre4+git20211228-5all
Debtags of package bkchem:
fieldchemistry
roleprogram
Popcon: 7 users (15 upd.)*
Versions and Archs
License: DFSG free
Git

BKchem es un programa libre de dibujo para química que está escrito en Python.

Algunas de las funcionalidades que puede esperar:

  • Dibujo (dibujo enlace por enlace, plantillas para anillos comunes, expansión de grupos comunes, dibujo de radicales, cargas, flechas, colores...)
  • Edición (capacidad de deshacer y rehacer ilimitada, alineamiento, escalado, rotación (2D, 3D)...)
  • Exportación/Importación (compatibilidad completa para exportar SVG, Openoffice.org-Draw y EPS, compatibilidad básica para importación y exportación CML1 y CML2).
Screenshots of package bkchem
chemtool
chemical structures drawing program
Versions of package chemtool
ReleaseVersionArchitectures
jessie1.6.14-1amd64,armel,armhf,i386
buster1.6.14-3amd64,arm64,armhf,i386
bullseye1.6.14-6amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x
bookworm1.6.14-6amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x
trixie1.6.14-6amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x
sid1.6.14-6amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x
stretch1.6.14-1amd64,arm64,armel,armhf,i386,mips,mips64el,mipsel,ppc64el,s390x
Debtags of package chemtool:
fieldchemistry
interfacex11
roleprogram
scopeapplication
uitoolkitgtk
useediting, learning
works-withimage, image:vector
works-with-formatsvg
x11application
Popcon: 26 users (20 upd.)*
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License: DFSG free
Git

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.

Please cite: Matthias Brüstle: Chemtool - Moleküle zeichnen mit dem Pinguin. (eprint) Nachr. Chem. 49(11):1310-1313 (2001)
Screenshots of package chemtool
easychem
Dibuja moléculas de alta calidad y formulas químicas 2D
Versions of package easychem
ReleaseVersionArchitectures
stretch0.6-8amd64,arm64,armel,armhf,i386,mips,mips64el,mipsel,ppc64el,s390x
buster0.6-8amd64,arm64,armhf,i386
bullseye0.6-9amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x
bookworm0.6-9amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x
trixie0.6-9amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x
jessie0.6-8amd64,armel,armhf,i386
sid0.6-9amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x
Debtags of package easychem:
fieldchemistry
interfacex11
roleprogram
uitoolkitgtk
useediting, learning, viewing
x11application
Popcon: 20 users (23 upd.)*
Versions and Archs
License: DFSG free
Git

EasyChem es un programa que le ayuda a crear diagramas de alta calidad de moléculas y formulas químicas en 2D que pueden ser exportados a PDF, PS, LaTeX y fig

EasyChem fue desarrollado originalmente para crear diagramas para libros de química y ahora es frecuentemente utilizado para este propósito en libros relacionados con química comerciales y no comerciales.

Screenshots of package easychem
gchempaint
Editor de estructuras químicas 2D para el escritorio GNOME
Versions of package gchempaint
ReleaseVersionArchitectures
sid0.14.17-6.2amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x
jessie0.14.9-1amd64,armel,armhf,i386
stretch0.14.15-1+deb9u1amd64,arm64,armel,armhf,i386,mips,mips64el,mipsel,ppc64el,s390x
buster0.14.17-1.1amd64,arm64,armhf,i386
bullseye0.14.17-6amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x
bookworm0.14.17-6.1amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x
Debtags of package gchempaint:
fieldchemistry
interfacex11
roleprogram
suitegnome
uitoolkitgtk
useediting, learning
x11application
Popcon: 24 users (24 upd.)*
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License: DFSG free
Git

GChemPaint es un editor de estructuras químicas en 2D con una interfaz de múltiples documentos. Se pueden buscar dibujos de moléculas en NIST Webbook y en PubChem.

osra
optical structure recognition
Versions of package osra
ReleaseVersionArchitectures
bookworm2.1.3-3amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x
trixie2.1.3-3amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x
sid2.1.3-3amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x
Popcon: 1 users (0 upd.)*
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License: DFSG free
Git

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.

Remark of DebiChem team: Packaging was discussed at

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

xdrawchem
Chemical structures and reactions editor
Maintainer: Georges Khaznadar
Versions of package xdrawchem
ReleaseVersionArchitectures
trixie1.11.1-2amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x
sid1.11.1-2amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x
buster1.10.2.1-2amd64,arm64,armhf,i386
stretch2.0-6amd64,arm64,armel,armhf,i386,mips,mips64el,mipsel,ppc64el,s390x
jessie2.0-3amd64,armel,armhf,i386
bullseye1.11.0-2amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x
bookworm1.11.0-4amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x
Debtags of package xdrawchem:
fieldchemistry
interfacex11
roleprogram
uitoolkitqt
useediting, learning, viewing
x11application
Popcon: 8 users (16 upd.)*
Versions and Archs
License: DFSG free
Git

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.

Screenshots of package xdrawchem
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