Hi, I've placed a webservice that accepts SMILES and generates 3D coordinates in SDF format (http://blue.chem.psu.edu/~rajarshi/code/java/cdkws.html)
While using the ModelBuilder3D I've noticed that it is quite memory intensive - even for a small molecule like CCC. To make the WS run I had to set my Java VM (for Tomcat) heap size to 128MB (from the default of 64MB). Of course Tomcat is taking up some of the heap space, but I didn't expect coordinate generation for something like CCC to be very intensive I was wondering whether this was a known fact or whether its something on my side ------------------------------------------------------------------- Rajarshi Guha <[EMAIL PROTECTED]> <http://jijo.cjb.net> GPG Fingerprint: 0CCA 8EE2 2EEB 25E2 AB04 06F7 1BB9 E634 9B87 56EE ------------------------------------------------------------------- A bug in the code is worth two in the documentation. ------------------------------------------------------- This SF.Net email is sponsored by xPML, a groundbreaking scripting language that extends applications into web and mobile media. Attend the live webcast and join the prime developer group breaking into this new coding territory! http://sel.as-us.falkag.net/sel?cmd=lnk&kid=110944&bid=241720&dat=121642 _______________________________________________ Cdk-user mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/cdk-user
