Try "Compound ID" not "<Compound ID>. 2009/11/25 Kenneth R. Auerbach <kauerb...@rics.bwh.harvard.edu>: > > Does anyone know if it's possible to make the value of a label (property) in > an SD file the title for that molecule in the SD file? The label (or > property) is given in the line after <Compound ID> for each molecule in the > SD file. I'd like to make that value (NOT the string "<Compound ID>") the > first record for each molecule in the SD file. I'm using the Windows GUI > version of OpenBabel and I tried entering <Compound ID> in the form next to > both "Appends properties or descriptors in list to title:" and "Append to > title:" but when converting the SD file it just puts the literal text string > "<Compound ID>" as the title for each molecule in the file. > > > > The information in this e-mail is intended only for the person to whom it is > addressed. If you believe this e-mail was sent to you in error and the e-mail > contains patient information, please contact the Partners Compliance HelpLine > at > http://www.partners.org/complianceline . If the e-mail was sent to you in > error > but does not contain patient information, please contact the sender and > properly > dispose of the e-mail. > > > ------------------------------------------------------------------------------ > Let Crystal Reports handle the reporting - Free Crystal Reports 2008 30-Day > trial. Simplify your report design, integration and deployment - and focus on > what you do best, core application coding. Discover what's new with > Crystal Reports now. http://p.sf.net/sfu/bobj-july > _______________________________________________ > OpenBabel-discuss mailing list > OpenBabel-discuss@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/openbabel-discuss >
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