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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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

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DebiChem Chemical formula/structure editors packages

Official Debian packages with high relevance

Bkchem
Chemical structures editor
Versions of package bkchem
ReleaseVersionArchitectures
buster0.13.0-6all
sid0.13.0-6all
squeeze0.13.0-2all
wheezy0.13.0-4all
jessie0.13.0-4all
stretch0.13.0-5all
Debtags of package bkchem:
fieldchemistry
roleprogram
Popcon: 24 users (8 upd.)*
Versions and Archs
License: DFSG free
Git

BKchem is a free chemical drawing program, which is written in Python.

Some of the features, you can expect:

  • Drawing (bond-by-bond drawing; templates for common rings; expanding of common-groups; draws radicals, charges, arrows; color support ...)
  • Editing (unlimited undo and redo capabilities; aligning; scaling; rotation (2D, 3D) ...)
  • Export/Import (fully supported SVG-, OpenOffice.org-Draw-, EPS-export; basic support for CML1 and CML2 import and export)
Screenshots of package bkchem
Chemtool
chemical structures drawing program
Versions of package chemtool
ReleaseVersionArchitectures
buster1.6.14-3amd64,arm64,armel,armhf,i386,mips,mips64el,mipsel,ppc64el,s390x
sid1.6.14-3amd64,arm64,armel,armhf,hurd-i386,i386,kfreebsd-amd64,kfreebsd-i386,mips,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
Debtags of package chemtool:
fieldchemistry
interfacex11
roleprogram
scopeapplication
uitoolkitgtk
useediting, learning
works-withimage, image:vector
works-with-formatsvg
x11application
Popcon: 28 users (53 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
Draw high-quality molecules and 2D chemical formulas
Versions of package easychem
ReleaseVersionArchitectures
sid0.6-8amd64,arm64,armel,armhf,hurd-i386,i386,kfreebsd-amd64,kfreebsd-i386,mips,mips64el,mipsel,ppc64el,s390x
jessie0.6-8amd64,armel,armhf,i386
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
wheezy0.6-7amd64,armel,armhf,i386,ia64,kfreebsd-amd64,kfreebsd-i386,mips,mipsel,powerpc,s390,s390x,sparc
Debtags of package easychem:
fieldchemistry
interfacex11
roleprogram
uitoolkitgtk
useediting, learning, viewing
x11application
Popcon: 22 users (49 upd.)*
Versions and Archs
License: DFSG free
Svn

EasyChem is a program that helps you creating high quality diagrams of molecules and 2D chemical formulas that can be exported to PDF, PS, LaTeX and fig.

EasyChem was originally developed to create diagrams for chemistry books and is now frequently used for this purpose in commercial and non-commercial chemistry-related books.

Screenshots of package easychem
Gchempaint
2D chemical structures editor for the GNOME2 desktop
Maintainer: Debichem Team (Adrian Bunk)
Versions of package gchempaint
ReleaseVersionArchitectures
stretch-proposed-updates0.14.15-1+deb9u1amd64,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
stretch0.14.15-1amd64,arm64,armel,armhf,i386,mips,mips64el,mipsel,ppc64el,s390x
sid0.14.17-1hurd-i386
buster0.14.17-1.1amd64,arm64,armel,armhf,i386,mips,mips64el,mipsel,ppc64el,s390x
sid0.14.17-1.1amd64,arm64,armel,armhf,i386,kfreebsd-amd64,kfreebsd-i386,mips,mips64el,mipsel,ppc64el,s390x
Debtags of package gchempaint:
fieldchemistry
interfacex11
roleprogram
suitegnome
uitoolkitgtk
useediting, learning
x11application
Popcon: 29 users (63 upd.)*
Versions and Archs
License: DFSG free
Svn

GChemPaint is an editor for 2D chemical structures with a multiple document interface. Drawn molecules can be searched at NIST Webbook and PubChem.

Screenshots of package gchempaint
Xdrawchem
Chemical structures and reactions editor
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
sid1.10.2.1-2amd64,arm64,armel,armhf,hurd-i386,i386,kfreebsd-amd64,kfreebsd-i386,mips,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: 13 users (7 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.

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 200343