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
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DebiChem Chemical formula/structure editors packages
Official Debian packages with high relevance
Bkchem
Chemical structures editor
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Versions of package bkchem |
Release | Version | Architectures |
sid | 0.13.0-6 | all |
buster | 0.13.0-6 | all |
squeeze | 0.13.0-2 | all |
wheezy | 0.13.0-4 | all |
jessie | 0.13.0-4 | all |
stretch | 0.13.0-5 | all |
Debtags of package bkchem: |
field | chemistry |
role | program |
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License: DFSG free
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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)
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Chemtool
chemical structures drawing program
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Versions of package chemtool |
Release | Version | Architectures |
sid | 1.6.14-6 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
squeeze | 1.6.12-1 | amd64,armel,i386,ia64,kfreebsd-amd64,kfreebsd-i386,mips,mipsel,powerpc,s390,sparc |
wheezy | 1.6.13-1 | amd64,armel,armhf,i386,ia64,kfreebsd-amd64,kfreebsd-i386,mips,mipsel,powerpc,s390,s390x,sparc |
jessie | 1.6.14-1 | amd64,armel,armhf,i386 |
stretch | 1.6.14-1 | amd64,arm64,armel,armhf,i386,mips,mips64el,mipsel,ppc64el,s390x |
buster | 1.6.14-3 | amd64,arm64,armel,armhf,i386,mips,mips64el,mipsel,ppc64el,s390x |
bullseye | 1.6.14-6 | amd64,arm64,armel,armhf,i386,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 |
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License: DFSG free
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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.
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Easychem
Draw high-quality molecules and 2D chemical formulas
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Versions of package easychem |
Release | Version | Architectures |
jessie | 0.6-8 | amd64,armel,armhf,i386 |
wheezy | 0.6-7 | amd64,armel,armhf,i386,ia64,kfreebsd-amd64,kfreebsd-i386,mips,mipsel,powerpc,s390,s390x,sparc |
stretch | 0.6-8 | amd64,arm64,armel,armhf,i386,mips,mips64el,mipsel,ppc64el,s390x |
buster | 0.6-8 | amd64,arm64,armel,armhf,i386,mips,mips64el,mipsel,ppc64el,s390x |
squeeze | 0.6-6 | amd64,armel,i386,ia64,kfreebsd-amd64,kfreebsd-i386,mips,mipsel,powerpc,s390,sparc |
bullseye | 0.6-8 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
sid | 0.6-8 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
Debtags of package easychem: |
field | chemistry |
interface | x11 |
role | program |
uitoolkit | gtk |
use | editing, learning, viewing |
x11 | application |
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License: DFSG free
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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.
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Gchempaint
2D chemical structures editor for the GNOME2 desktop
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Versions of package gchempaint |
Release | Version | Architectures |
buster | 0.14.17-1.1 | amd64,arm64,armel,armhf,i386,mips,mips64el,mipsel,ppc64el,s390x |
squeeze | 0.12.4-1 | amd64,armel,i386,ia64,kfreebsd-amd64,kfreebsd-i386,mips,mipsel,powerpc,s390,sparc |
wheezy | 0.12.12-1 | amd64,armel,armhf,i386,ia64,kfreebsd-amd64,kfreebsd-i386,mips,mipsel,powerpc,s390,s390x,sparc |
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 |
bullseye | 0.14.17-5 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
sid | 0.14.17-5 | 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 |
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License: DFSG free
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GChemPaint is an editor for 2D chemical structures with a multiple
document interface. Drawn molecules can be searched at NIST Webbook
and PubChem.
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Xdrawchem
Chemical structures and reactions editor
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Versions of package xdrawchem |
Release | Version | Architectures |
squeeze | 1.9.9-4.1 | amd64,armel,i386,ia64,mips,mipsel,powerpc,s390,sparc |
buster | 1.10.2.1-2 | amd64,arm64,armel,armhf,i386,mips,mips64el,mipsel,ppc64el,s390x |
bullseye | 1.11.0-2 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
sid | 1.11.0-2 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
wheezy | 2.0-2 | amd64,armel,armhf,i386,ia64,kfreebsd-amd64,kfreebsd-i386,mips,mipsel,powerpc,s390,s390x,sparc |
jessie | 2.0-3 | amd64,armel,armhf,i386 |
stretch | 2.0-6 | amd64,arm64,armel,armhf,i386,mips,mips64el,mipsel,ppc64el,s390x |
Debtags of package xdrawchem: |
field | chemistry |
interface | x11 |
role | program |
uitoolkit | qt |
use | editing, learning, viewing |
x11 | application |
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License: DFSG free
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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.
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Packaging has started and developers might try the packaging code in VCS
Osra
optical structure recognition application
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Versions of package osra |
Release | Version | Architectures |
VCS | 2.0.1-1 | all |
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License: GPL-2+
Debian package not available
Version: 2.0.1-1
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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.
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