On 29/11/2011 09:35, icdi wrote: > Dear all, > > I know there is some memory restrict in the Openbabel when doing the > conversion. My question is can I enlarge the memory restrict to get my large > sdf file (contains 25000 molecules) converted? Now I can only convert 4057 > of them.
On my Windows 7 machine with 4GB RAM, I have no difficulty working with an sdf file with 500,000 molecules and 1.5GB, and I think it worked when I had only 1GB RAM. The command line obabel and the GUI work for most file formats by converting as they go, rather than having to have the whole file in the memory at the same time. I suspect your difficulty may be a corruption in the sdf file. Using the -e option will continue the conversion after a failed molecule. If this does not work, you could post more details of what you are trying to do. Chris ------------------------------------------------------------------------------ All the data continuously generated in your IT infrastructure contains a definitive record of customers, application performance, security threats, fraudulent activity, and more. Splunk takes this data and makes sense of it. IT sense. And common sense. http://p.sf.net/sfu/splunk-novd2d _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
