From: Kenneth R. A. <kau...@ri...> - 2009-11-25 16:51:52
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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. |