![]() | This is anexplanatory essay aboutWikipedia:Manual of Style/Chemistry. This page provides additional information about concepts in the page(s) it supplements. This page is not one ofWikipedia's policies or guidelines as it has not beenthoroughly vetted by the community. |
Manual of Style |
Chemistry |
---|
Categories |
These guidelines are necessarily quite technical, and are intended for editors with some experience of drawingstructural formulae and reaction schemes. For a less technical overview of the issues involved, seeWikipedia:Molecular structure diagram.
Chemical structures and reaction schemes should conform to the following:
It is not necessary to color-code atoms according to element in structure drawings but if done the conventions of theJmol scheme should be used. Note, however, that the use of yellow ( ) forsulfur is not advised as it can cause accessibility problems on a white background. Within a given article, diagrams should be consistent, which means in most cases they should use black and white except as highlighting to emphasize a particular point in specific diagrams. In all cases the advice atWP:color should be followed.
ACS templates are available in mostchemical drawing programs.
ACD/ChemSketch is freeware available for personal, home, and educational use fromACDlabs. It has comprehensive chemical drawing features and can directly connect toPubChem, eMolecules andChemspider to search these large databases by structure or substructure. The program can read and write in many file formats including export of PNG files. If SVG files are required, it is recommended that structure diagrams be exported as enhanced metafiles (.emf) which can be read byInkscape and other image editors.
BIOVIA Draw is the current version of the originalISIS/Draw program, now owned byDassault Systèmes and freely available for academic and non-commercial users fromBIOVIA. Other previous versions were called Accelrys Draw and SymyxDraw. The program can read and write many file formats, other than its proprietary sketch file format (.skc) and can export PNG files. If SVG files are required, it is recommended that structure diagrams be exported as enhanced metafiles (.emf) which can be read by Inkscape and other image editors..
The ACS settings are as follows:
Also recommended: For minus symbols on atoms, change the font for the minus symbol to "Symbol" for clarity.
The following two changes in font may be performed by going toFile → Document Style)
The following three may be performed by going toEdit → Preferences → Display:
Whereas this last one may be performed by going toEdit → Preferences → Bonds
Stereocenter display may be enabled by choosingView → Stereo → R/S Labels: All.
The free, open-source program called WinDrawChem (the Windows version ofXDrawChem) appears to work well. (link)Unix-like users should follow the XDrawChem article link.
The configuration is extremely limited and post-processing is likely required. The only useful thing in "Format → Drawing settings..." is "Double bond spacing", which should be set to 18% of bond length, i.e. 5 pixels (integers only!) for the default 25-pixel bonds. Actual pixel sizes don't matter considering we will be doing an SVG report.
There is a free, open source program calledBKChem (link). You can save the following configuration files to~/.bkchem under Linux orC:\Documents and Settings\{username}\application data\bkchem (XP) orC:\Users\{username}\application data\bkchem (Vista /Windows 7) to get configuration according to Wikipedia's Manual of Style. It should work on any system withPython 2 and Tcl/Tk.
standard.cdml:
<?xml version="1.0" ?><cdmlversion="0.15"xmlns="http://www.freesoftware.fsf.org/bkchem/cdml"><info><author_programversion="0.12.2">BKChem</author_program></info><standardarea_color=""font_family="Arial"font_size="24"line_color="#000"line_width="0.06cm"paper_crop_margin="5"paper_crop_svg="1"paper_orientation="portrait"paper_type="Legal"><bonddouble-ratio="0.85"length="1.4cm"wedge-width="0.18cm"width="0.21cm"/><arrowlength="1.6cm"/></standard></cdml>
prefs.xml:
<?xml version="1.0" ?><bkchem-prefs><langtype="StringType">en</lang><geometrytype="StringType">1016x522+4+27</geometry><recent-file1type="StringType"></recent-file1><recent-file2type="StringType"></recent-file2><use_real_minustype="IntType">0</use_real_minus><default-dirtype="StringType">~</default-dir></bkchem-prefs>
CORINA online is an easy to handle 3D-model generator of molecules, with the objective to execute the structural determination within a particular low time investment.This advantage is bought by a divergence from the ideal geometry. For instance, the program works with presets. To which extent these divergences are tolerable depends on the individual case and on quality demands. CORINA is not "foolproof". Pseudochirality centers may turn out as pitfalls (e.g. amines that are chiral in protonated form). These specifics are to be considered in theSMILES code, i.e. the correct relative energy minimum is to be manually assured.
Most molecule editors cannot produce .PNG images directly with the requirements outlined above. The image processing step also allows a canvas (margin) to be added (this is usually absent from the molecule editor output).
SVG files are preferred, because they are smaller in filesize, can generate high quality images for printing and are easier to translate if text is added to mechanism.
ChemDraw exports svgs with a white background. You may use the vbs script atUser:Smallman12q/Scripts/Transperify to make the background transparent. Another option is to open the file with Inkscape, right-click on the structure and select "Ungroup", then click anywhere on the white background and hit delete, then save again.
There tends to be an unreasonably large margin left around the diagram's extents, so it is often a good idea to crop the image in a vector program such as Inkscape before uploading it. Leave a small margin of 1.6 pt.
This method works only if yourmolecule editor is able to export files inWindows Metafile format. For example,ChemDraw supports this, as does ChemSketch and BIOVIA Draw (.emf is preferable for the latter).
Alternative (but little more complex) way to generate high quality and small size SVG files. One needs to download and install both Scribus andGhostscript to archieve EPS to SVG conversion.
Please upload images toWikimedia Commons andnot to the English Wikipedia. This enables images to be used in other Wikipedia languages and other Wikimedia projects and makes updating images much easier, it also saves someone else having to move the structure to Commons later. It is also simpler to find images in the Commons category structure compared to Wikipedia. To upload images to the Commons, you must be a registered user there. Due to thesingle user login, you might already have an account on Commons (check here).
As usual,uploaded images must have a correct copyright tag: please add{{PD-chem}} - this will add the textThis image of a simple structural formula is ineligible for copyright and therefore in the public domain, because it consists entirely of information that is common property and contains no original authorship. Images released under "non-commercial use only" licences are not accepted and will be deleted without warning, as will images without a tag.
The easiest way is to usethis pre-filled upload form. Please complete the form and one or more specific categories (normally subcategories ofCategory:Chemical compounds).
Alternative method:
{{Information| Description= {{en|Chemical structure of [[:en:...|]]}}| Source= {{Own}}| Date= 2025-07-14| Author= ~~~| Permission= {{PD-chem}}| other_versions=}}==Comments==High-resolution black/white .PNG made with [[:en:ChemDraw|ChemDraw]] and [[:en:IrfanView|IrfanView]] — see [[:en:Wikipedia:Manual of Style (chemistry)/Structure drawing|WikiProject Chemistry - structure drawing]] for detailed instructions. Please drop me a note if you need the source file.[[Category:Chemical structures]]
{{Information| Description= {{en|Chemical structure of [[:en:...|]]}}| Source= {{Own}}| Date= 2025-07-14| Author= ~~~| Permission= {{PD-chem}}| other_versions=}}==Comments==CD-SVG file made with [[:en:BKchem|]] — see [[:en:Wikipedia:Manual of Style (chemistry)/Structure drawing|WikiProject Chemistry - structure drawing]] for detailed instructions.[[Category:Chemical structures]]
The following templates can be used on Wikipedia andCommons to mark wrong or poor chemical structures:
Wikipedia:{{Disputed chem|reason}} Commons:{{Disputed chem|reason}} |
| ||
Wikipedia:{{Low quality chem|reason}} Commons:{{Low quality chem|reason}} |
|