Re: [Rdkit-discuss] cycles in RDKIT

2010-05-28 Thread Cedric MORETTI
Tks Greg Big big tks you very much It was exactly my answer. -Original Message- From: Greg Landrum [mailto:greg.land...@gmail.com] Sent: mercredi, 26. mai 2010 18:33 To: Cedric MORETTI Cc: rdkit-discuss@lists.sourceforge.net Subject: Re: [Rdkit-discuss] cycles in RDKIT Dear Cedric, On

Re: [Rdkit-discuss] cycles in RDKIT

2010-05-26 Thread Greg Landrum
Dear Cedric, On Wed, May 26, 2010 at 5:12 PM, Cedric MORETTI wrote: > Hello > I'd like to know if it was possible to search in RDKIT which would isolate > any cycles. > I thought the search for chemical moiety "C1" or "C1" and save the file with > these molecules. > The more complicated now. > Is

[Rdkit-discuss] cycles in RDKIT

2010-05-26 Thread Cedric MORETTI
Hello I'd like to know if it was possible to search in RDKIT which would isolate any cycles. I thought the search for chemical moiety "C1" or "C1" and save the file with these molecules. The more complicated now. Is it possible to find fragments containing only the cycle and the cycle? Basically