From: Michael B. <mb...@gm...> - 2004-03-21 00:54:27
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On Sat, Mar 20, 2004 at 02:01:45PM +0000, Peter Murray-Rust wrote: > At 13:40 20/03/2004 +0100, Michael Banck wrote: > >On Sat, Mar 20, 2004 at 08:27:09PM +0800, Gaokeng Xiao wrote: > >> When I converted nciopen3d.sdf, it always failed. > >> I just type :babel -h -isdf nciopen3d.sdf -omol2 nci3d.mol2 > >> Then after a moment,the system prompt :segmentation fault. > >> What's wrong with me. My system is: AMD XP 2500+/512M memory,Redhat > >Linux 9.0 > > > >Could you put this nciopen3d.sdf somewhere on the web, or point us to > >it? If it is not too big, you can also attach to a mail to this list. > > It is on the NCI website. I don't have the URL to hand, but somewhere on > http://dtp.nci.nih.gov. There are 250,000 structures and it is several > hundred Mbytes, so please don't attach it to any mails!!! Oops :) > We have converted it OK, but split it into smaller chunks first. Unless > there is zero memory leak I am sure this number of molecules in one file > could give a problem. In that case, it might be a nice stress test I guess. I'm don't have several hundreds megabytes of free space right now, but I'll keep it in mind. Michael -- Michael Banck Debian Developer mb...@de... http://www.advogato.org/person/mbanck/diary.html |