Hi, I updated some bits of the CDK to make it amenable for web service usage and the molecular descriptor web service is now available at
http://blue.chem.psu.edu/~rajarshi/code/java/cdkws.html#desc Takes in an SD file and you can choose which type of molecular descriptor to evaluate. It returns an SD file with the values as properties ------------------------------------------------------------------- Rajarshi Guha <[EMAIL PROTECTED]> <http://jijo.cjb.net> GPG Fingerprint: 0CCA 8EE2 2EEB 25E2 AB04 06F7 1BB9 E634 9B87 56EE ------------------------------------------------------------------- A meeting is an event at which the minutes are kept and the hours are lost. ------------------------------------------------------- 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
