Le samedi 14 avril 2007 à 22:59 -0400, Martin A. Walker a écrit : GChemPaint (>=0.7.90) already has the features you need and it's free: svg and png export (at any resolution) , InChI generation (through openbabel)...
Best regards, Jean Bréfort > Dear all, > > This is my first post to the mailing list, I hope this goes through OK! I > don't blog, or I'd report the info that way. > > There have been a lot of things going on at Wikipedia that will interest > this group. > > 1. http://en.wikipedia.org/wiki/Wikipedia talk:WikiProject > Chemistry/Structure drawing workgroup#ACD ChemSketch - the company is > willing to make a Wikipedia Template on their Freeware > > (Sorry about the long URL!) > We are working with Antony Williams, Product Manager for ChemSketch, to > add Wikipedia settings into ChemSketch. Simple drawing settings alone > would be trivial - we've already agreed to use ACS drawing settings - but > they are talking about adding in the image processing to make a PNG file > automatically (we asked for SVG, but we'd still be thrilled with PNG). > Williams is posting on the above talk page, and will provide a test > version soon, I think. I think this feature will make it easier for > people to post structures to their web pages, never mind Wikipedia. > > I did my duty and requested that the software also generate an InChI. > Williams was open/supportive, but said it would take longer. I would like > to draw a molecule in ChemSketch, then have the magic "Wikipedia button" > generate a PNG or SVG file for me with the InChI attached as metadata, all > ready for uploading to the Wikimedia Commons. If we can do this in > ChemSketch, I'm sure we can pressurise ChemDraw to follow suit. I have a > feeling that the "Wikipedia button" (if properly designed) could in effect > become the standard "Upload my structure to my website button", in which > case we would really like to get the metadata included. Does anyone here > have any comments or advice on how best to do this? Adding metadata to > image files in Wikimedia software is difficult, hence my post at the > Commons Village Pump: > http://commons.wikimedia.org/wiki/Commons:Village_pump#Metadata_in_image_files > Please help! > > 2. Someone from IUPAC Gold Book has approached us, "offering a > collaboration between IUPAC and Wikipedia and offering to make their data > available to us." > http://en.wikipedia.org/wiki/Wikipedia talk:WikiProject Chemistry#IUPAC > Gold Book > > Again, much discussion and many thoughtful responses. This really looks > like a good chance to add value to Wikipedia articles. Suggestions, > ideas? > > As well as the above, we've also had heated debates about SVG vs PNG, > citation policies, an Endnote citation-generator for WP, harmonisation of > chemical structure drawing standards with the German Wikipedia, and much > more, all since I got back from Chicago. Jmol adoption even got a short > discussion, Bob. Phew! > > I'd really appreciate some expert advice on how best to proceed. Many > thanks, > Martin > > PS: The department is fully supporting my tenure request, it now goes to > the dean... > > Martin A. Walker > Department of Chemistry > SUNY College at Potsdam > Potsdam, NY 13676 USA > +1 (315) 267-2271 > > _______________________________________________ > Blue-obelisk mailing list > [EMAIL PROTECTED] > http://hardly.cubic.uni-koeln.de/mailman/listinfo/blue-obelisk _______________________________________________ Blue-obelisk mailing list [EMAIL PROTECTED] http://hardly.cubic.uni-koeln.de/mailman/listinfo/blue-obelisk
