Wikipedia talk:WikiProject Chemistry/Structure drawing workgroup

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OK, it looks like we have a quorum already! I forgot to post on WP:Chemistry last night, that's now done, I hope a few others may join us from there. I think first we need to establish what software we are using, and then start discussing simple 2D structure drawing settings. If people want to discuss other issues, though, please feel free.

Contents

[edit] Software we use

Please list what you are using to draw and manipulate images, be it 2D, 3D, whatever. If you have access to software you are not actively using, list that in parentheses.

Name (t)(c) Molecule editors Graphics programs Web browsers
Martin Walker (T C ) ChemDraw Ultra 9.0, Isis Draw 2.4/2.5, ChemSketch 10.0 IrfanView, (Adobe Photoshop) Firefox 2.0, IE 7.0
Ben Mills (T C ) ChemDraw Ultra 11; Chem3D, Accelrys DS Visualizer 1.5, Spartan ST '04 Adobe Photoshop Elements 3.0 Safari 2.0, IE 6.0
Rune.welsh (T C ) ChemDraw 8.0, (ACD/Chemsketch) Irfanview Firefox 1.5, Opera 8.x9
Ed (T C ) ChemDraw (ISIS/Draw) (P.E. 2.0) Safari 2, IE 6
Boris (T C ) ISIS/Draw2.5(ChemSketch 8.0) MS Paint and InfanView
or Dell Photo Editor
F1.0, I6.0, N7.2, O7.54
Nevermore (T C ) ChemDraw 8.0, ISIS/Draw 2.4 ACDSee 7, Corel Photopaint 9 Firefox 1.5, IE 6
Physchim62 (T C) ASD/ChemSketch 8.0, ISIS/Draw 2.5 The Gimp Firefox 1.7
~K (T C) ChemDraw 4.5 (It's old, but works well.) The Gimp Firefox 1.5
Ragesoss (T C) RasMol, experimenting with new SVG-output drawers The Gimp Firefox 1.5, Opera 8, IE 6
Isilanes (T C) ChemTool, Molden, Molekel Inkscape, The Gimp Firefox
Slashme (T C) BKchem Inkscape, The Gimp Firefox
V8rik (T C) BKchem (experimenting) older work: Isis Draw 2.5 / Irfanview Inkscape Internet Explorer 6

[edit] Software

Is there any free software that is accepted for drawing chemical diagrams for Wikipedia? Both of the programs recommended at Wikipedia:WikiProject_Chemistry/Structure_drawing#Suggested_molecule_editor_settings are proprietary. Superm401 - Talk 05:03, 21 December 2007 (UTC)

Actually, you can draw diagrams in anything that will give you a good svg. I started out with inkscape, but that's a bit of a mission. I currently use BKchem. Also check out the list above.--Slashme (talk) 07:23, 21 December 2007 (UTC)
Oh, and see the previous discussions at Wikipedia_talk:WikiProject_Chemistry/Structure_drawing_workgroup/Archive_index --Slashme (talk) 07:49, 21 December 2007 (UTC)

[edit] New image

I'd like to help producing some new .svg files (if I can be any use), but I'm having a few teething problems. I've uploaded a drawing (acepromazine), but It doesn't look quite right and I can't seem to get it to use the usual font for the atom labels. I'm using BKchem and Inkscape on OSX 10.5. Any suggestions would be appreciated. Thanks. David-i98 (talk) 02:26, 27 December 2007 (UTC)

[edit] Problems with SVG

I tried to contribute chemical structures as a SVG-file but unfortunately I did not succeed with any freeware program. I'm using ISIS/Draw to create the structure, safe in as WMF but did not find any way to properly convert it to SVG. With SVGfactory it works if there are no letters (C, H, N, O) present. With Inkscape the SVG-file just contains a link to the external file which is pretty useless. I tried several other programs, don't remember each one anymore. MarvinBeans from Chemaxon worked great to creat the SVG file but I could not change the settings to the wikipedia format. Can anyone recommend a simple solution, e.g. a free WMF to SVG converter? —Preceding unsigned comment added by Panoramix303 (talkcontribs) 11:15, 9 March 2008 (UTC)

  • free structure drawing: BKchem. Exports directly to svg (Cairo!), no need for conversion tools. Have already done dozens of images with it V8rik (talk) 17:58, 9 March 2008 (UTC)
  • I tried BKChem with the settings from the german structure drawing group (http://de.wikipedia.org/wiki/Wikipedia:Wie_erstelle_ich_Strukturformeln%3F#Ma.C3.9Fe) but there are several problems, e.g. the orientation of hydrogens can't be changed, after importing a mol-file every implicit hydrogen has to be added by hand.... So the whole solution is not really convenient.

-- Panoramix303 (talk) 19:25, 9 March 2008 (UTC)

[edit] Freeware solution for SVG files

I had serious problems getting proper SVG files with freeware/open source software. Here is a step-by-step guide how to do it, hopefully it helps other people.

1) Draw the structure in any program which can export WMF-files (e.g. ISIS/Draw or ChemDraw)
2) Export the files as WMF
3) Download the file wmftosvg.exe (http://www.argentum.freeserve.co.uk/wmftosvg.exe)
4) Go the command prompt (cmd.exe)
5) Go the directory of wmftosvg.exe
6) type: wmftosvg.exe filename.wmf >filename.svg
7) open the created filename.svg with an texteditor
8) add two lines after the line <svg version....."
9) first line: width=""
10) second line: height=""
11) between the "" add the width and height of the wmf, the values can be seen in the properties tab after right-clicking on the file
12) safe the edited svg-file
13) DONE!

Sounds complicated but takes less than two minutes to finish everything, no need to abandon the loved structure editor and no need for big and/or complicated programs.

-- Panoramix303 (talk) 19:36, 13 March 2008 (UTC)

That seems very interesting. How did you find this .exe file? Fvasconcellos (t·c) 20:07, 13 March 2008 (UTC)

[edit] Broken Link

This link: http://www.iupac.org/publications/pac/2006/pdf/7810x1897.pdf

doesn't exist anymore. —Preceding unsigned comment added by 66.92.19.253 (talk) 21:13, 13 March 2008 (UTC)

I just clicked on the link that you gave, and got a PDF. Check again? --Slashme (talk) 15:21, 16 May 2008 (UTC)

[edit] Category

The category Chemical structure quality issues, in which the project page is supposed to be placed, doesn't exist: any ideas for a better category? Physchim62 (talk) 13:59, 29 March 2008 (UTC)

[edit] Need a check

Created Carvonic acid, but needs a check if I did it right.--Stone (talk) 18:15, 15 May 2008 (UTC)

Looks OK to me. Now it should be easy to make one for Carvone as well ;) --Slashme (talk) 15:23, 16 May 2008 (UTC)