From: Egon W. <ego...@gm...> - 2010-12-18 12:39:25
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Hej Angel, 2010/12/18 Angel Herráez <ang...@ua...>: > Bob wrote: >> A satisfying day! After my development laptop died yesterday, that is especially good new. > > So you melted it down? ;-D Would not surprise me either :) >> Angel, I need you to test those V2000 files to see if they really do load into that viewer. > > Sure. Later this weekend > I'm trying t find if there is a standard "validation" of MOLfiles, it seems not. So I'll try whatever programs I have. Angel, please have a look at this blog post I made a bit earlier: http://chem-bla-ics.blogspot.com/2010/01/validating-mdl-sd-files-and-symyx.html Egon -- Dr E.L. Willighagen Postdoctoral Research Associate University of Cambridge Homepage: http://egonw.github.com/ LinkedIn: http://se.linkedin.com/in/egonw Blog: http://chem-bla-ics.blogspot.com/ PubList: http://www.citeulike.org/user/egonw/tag/papers |