On 05/12/2012 00:10, Sarah Rodriguez wrote: > Hi, > > I asked the earlier question: > > On 11/11/2012 04:01, Sarah Rodriguez wrote: > > Hello, > > I am wondering if I have 2 large databases that I want to compare the > > structures in, would I be able to do this in babel? > > Thanks for your reply. I was really helpful. As a followup, is there > anyway to put those duplicated (non-unique) structures into a separate > file?? Thanks!
Not in v2.3.2. But prompted by your original question, I extended --unique to provide this capability, but did not committed it until now. But if you want to use it you will have to download and compile the code in SVN trunk yourself. Chris ------------------------------------------------------------------------------ LogMeIn Rescue: Anywhere, Anytime Remote support for IT. Free Trial Remotely access PCs and mobile devices and provide instant support Improve your efficiency, and focus on delivering more value-add services Discover what IT Professionals Know. Rescue delivers http://p.sf.net/sfu/logmein_12329d2d _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
