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From: Geoffrey H. <ge...@ge...> - 2009-03-04 18:28:03
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On Mar 4, 2009, at 1:01 PM, Noel O'Boyle wrote: >> FYI, the filenames contain numerous spaces, periods and commas, so >> the >> command line version of babel (which I’ve tried) crashes. Also, I’m >> presently stuck doing this in Windows XP. If I switch to Fedora, >> will the >> command line version ignore punctuations? The command line version on Fedora (or any UNIX-like system including Mac OS X) will be just fine: babel *.mol -osmi -m This will take each mol file (anything matching *.mol) and output a SMILES file with the extension .smi. Cheers, -Geoff |