From: Egon W. <eg...@us...> - 2005-01-16 00:22:04
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Hi all, a new CDK release is ready. It will be on SF shortly, but there upload FTP server is full :( I hope to be able to upload it tomorrow. Many, many changes, amongst which more than 10 bug fixes [1]. New features include: - a 3D structure generator - many new QSAR descriptors, amongst which WHIM and BCUT - an iterating SMILES parser for .smi files - stable data module (see email yesterday) For a full overview of features in the library can be found on the index page online [2]. Egon 1. http://cdk.sourceforge.net/changelog.html 2. http://cdk.sourceforge.net/keywordindex.html -- eg...@us... GPG: 1024D/D6336BA6 |