LICSS 3.2 in Development

[Kevin Lawson]

Dear All

I have put a development version of LICSS 3.2 on the Google Drive. This uses the 1.5.7 development version of the CDK. Substructure searching now uses the Ullmann algorithm and is very much faster than previously (with or without prior fingerprint search). Chiral Smiles is also supported both for structure representation and for searching.

Significant recoding was necessary for the new version and there might very well be bugs; all feedback welcome..

Kevin

[John May]

Good to hear Kevin, should be able to upgrade to the very latest SNAPSHOT with minimal changes I've been trying hard to keep the API fixed to avoid the pain of a 1.4.x -> 1.5.x migration.