Talk:Chemical table file

Latest comment: 13 years ago by 68.113.113.36

You should number the lines of the benzene SD file, in order to be able to identify easily the explanations in the table below!

Thanks



A MOL file, created with ACD/ChemSketch v.11 (freeware and commercial) and onwards, does not contain the $$$$ as listed in the article. It would nice to have a third party verify this and thus correct the article. —Preceding unsigned comment added by 99.235.74.210 (talk) 21:21, 27 February 2009 (UTC)Reply

Certainly MOLfiles created by version 12 don't have the $$$$ line, I've just checked. Physchim62 (talk) 19:20, 20 November 2010 (UTC)Reply

MOL-formatted files, by definition, only have one structure in them. It may contain disconnected molecules within that structure, but they are all read and displayed at once. Note that there is a distinct MOL2 file format which is not related to the MOL format (MOL was developed by MDL, while MOL2 was developed by Tripos) that CAN hold multiple molecules as separate structures. SD/SDF format is essentially just a bunch of MOL files concatenated together, with the '$$$$' string separating individual structures/molecules. For all practical purposes that I have encountered, the MOL format is just a subset of the SD format that contains only a single molecule/structure. 68.113.113.36 (talk) 19:39, 12 March 2011 (UTC)Reply