Hi All, I wanted to use the Kier Hall topological descriptors for a large sdfile but it's seems to be very slow. I tested the calculator on a sd-file containing 10 (not to complex) structures and it takes over a minute on the following platform:
Windows 2000 Java 1.6.0_02-b06 Pentium 4 CPU 2.40 GHz 1GB RAM ChiChainDescriptor: 5 sec. ChiPathClusterDescriptor 25 sec. ChiClusterDescriptor 4 sec. ChiPathDescriptor: 46 sec. Can anybody confirm the low performance? Is it due to the set-up of the program (query all possible fragments per ordered) or am I overlooking something here? Thanks, Peter --------------------- Specs Kluyverweg 6 2629 HT DELFT The Netherlands p +31 15 2518139 (direct) f +31 15 2518181 www.specs.net [EMAIL PROTECTED] --------------------- ------------------------------------------------------------------------- This SF.net email is sponsored by: Splunk Inc. Still grepping through log files to find problems? Stop. Now Search log events and configuration files using AJAX and a browser. Download your FREE copy of Splunk now >> http://get.splunk.com/ _______________________________________________ Cdk-user mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/cdk-user
