From: Egon W. <eg...@us...> - 2005-01-16 00:22:04
|
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 |
From: Egon W. <eg...@us...> - 2005-01-26 08:35:30
|
On Sunday 16 January 2005 01:22, Egon Willighagen wrote: > a new CDK release (20050116) is ready. There were a number of build issues with this release. I've addressed these, and released 20050125. If you were happy with 20050116 then there is no need to download the jan-25 release, but if you had build problems, please try the new release and let me know if there are more issues. BTW, I'm thinking about setting up a mailing list or website, where people can post there compile log, so that we can get a good look at what configurations are used... Would people be interesting in submitting such (anonymously)? Egon -- eg...@us... GPG: 1024D/D6336BA6 |