Le lundi 08 avril 2013 à 19:50 -0400, Jason Fuller a écrit : > Fantastic! Thanks, can't wait to get it installed and try it, > however, I hunted for the stable version of the gnumeric plugin but > couldn't find it in the Ubuntu repositories, just the browser > version. I don't have SVN set up on this computer yet, so I haven't > had a chance to check out the version in trunk.
You are right, seems that nobody packages the gnumeric plugin. You might file a bug report against ubuntu. > > Wow! I didn't realize this project was connected to gChemPaint. I > wish gChemPaint had the ability to save / open SMILES / InChi strings. It has. There might be some issues with stereobonds in polycyclic compounds though. I need to set up a test suite. > Similarly, in spreadsheet conversion from SMILES / InChi to structure > (or an image of one) would make my life 1000x times better. As well > as openbable conversion from one string format to another. > The goffice plugin allows that, more or less. You need gnumeric-1.12 though. Best regards, Jean > > On Sat, Apr 6, 2013 at 5:16 AM, Jean Bréfort > <[email protected]> wrote: > I added a monoisotopicmass function to the gnumeric plugin (in > trunk > only), if you need something else, just ask. > > Regards, > Jean > > Le vendredi 05 avril 2013 à 16:24 -0400, Jason Fuller a > écrit : > > That's sweet. I didn't know about the molarmass function in > Gnumeric, > > will be nice to use when prepping standards. Unfortunately, > however, > > the mono-isotopic mass is usually the number that I'm in > greater need > > for a calculator for. > > > > > > I'll file the feature request bug, along with a second > request that > > I've thought of while writing this email (a charge state > button that > > adds or subtracts the mass of a proton minus an electron > times x where > > x is the charge state). > > > > > > - J > > > > > > On Fri, Apr 5, 2013 at 4:28 AM, Jean Bréfort > > <[email protected]> wrote: > > Looks like a good idea, please file an enhancement > request in > > our bugs > > database. > > For now, the molar mass is available from within the > gnumeric > > spreadsheet using the molarmass function. I should > add > > functions for the > > monoisotopic mass, and, may be, the elemental > composition. > > > > Best regards, > > Jean > > > > Le jeudi 04 avril 2013 à 17:23 -0400, Jason Fuller a > écrit : > > > Hi, > > > Love your chemical calculator tool, but it would > be a lot > > more useful > > > if I were allowed to copy the mass / monoisotopic > mass. > > Thanks! > > > > > > > > > > > > -- > > > Jason H. Fuller > > > [email protected] > > > (617) 394-8378 > > > > > > > > > > > > Ginkgo BioWorks > > > 27 Drydock Avenue Floor 8 > > > Boston, MA 02210 > > > 877.HACK.DNA > > > > > > > > _______________________________________________ > > > Gchemutils-main mailing list > > > [email protected] > > > > https://lists.nongnu.org/mailman/listinfo/gchemutils-main > > > > > > > > > > > > > > -- > > Jason H. Fuller > > [email protected] > > (617) 394-8378 > > > > > > > > Ginkgo BioWorks > > 27 Drydock Avenue Floor 8 > > Boston, MA 02210 > > 877.HACK.DNA > > > > > > > > > > -- > Jason H. Fuller > [email protected] > (617) 394-8378 > > > > Ginkgo BioWorks > 27 Drydock Avenue Floor 8 > Boston, MA 02210 > 877.HACK.DNA > _______________________________________________ Gchemutils-main mailing list [email protected] https://lists.nongnu.org/mailman/listinfo/gchemutils-main
