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

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DebiChem Chemical formula/structure editors packages

Official Debian packages with high relevance

Bkchem
化学结构编辑器
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 是一个免费的化学绘图程序,用 Python 编写。

您可以预期的一些功能:

  • 绘图(逐键绘图;常见的环结构模板;常见的原子团扩展;绘制激发状态、电荷、箭头; 支持着色...)
  • 编辑(无限撤销、重做功能;比对;缩放;旋转(二维或三维)...)
  • 导出/导入(完美支持 SVG-、OpenOffice.org-画图-、EPS-导出;基本支持 CML1 和 CML2 导入、导出)
Screenshots of package bkchem
Chemtool
chemical structures drawing program
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 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
绘制高质量分子与二维化学式
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 是一个帮助您创建高质量分子图形及二维化学式的软件,能够将其导出为 PDF,PS,LaTex 及 fig 格式。

EasyChem 原初的开发目的是为化学图书创建图表,而现在则经常在商业和非商业的化 学相关图书中使用该用途。

Screenshots of package easychem
Gchempaint
2D chemical structures editor for the GNOME2 desktop
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 is an editor for 2D chemical structures with a multiple document interface. Drawn molecules can be searched at NIST Webbook and 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
化学结构和反应编辑器
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 是一个二维的化学结构和反应编辑器。它能够实现商业软件 ChemDraw 的功 能,并且通过 OpenBabel 实现了和 ChemDraw 以及其他化学软件格式之间的兼容,

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