Hello all, Sorry for the crossposting, but some of you may be interested in looking at http://www.redbrick.dcu.ie/~noel/parseSD.html where I compare the performance of frowns, CDK and OB, in calculating the molecular weights of all of the molecules in a 100K molecule SD file.
This is more from the point of view of creating examples of the use of these programs than to compare performace. Regards, Noel ------------------------------------------------------- Using Tomcat but need to do more? Need to support web services, security? Get stuff done quickly with pre-integrated technology to make your job easier Download IBM WebSphere Application Server v.1.0.1 based on Apache Geronimo http://sel.as-us.falkag.net/sel?cmd=lnk&kid=120709&bid=263057&dat=121642 _______________________________________________ Cdk-user mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/cdk-user
