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PDB2PQR Public Release 1.0.0

Hello Everyone -

I am pleased to announce the public release of PDB2PQR 1.0.0.

PDB2PQR had been previously available only via a web server or associated with APBS (in the tools/conversion directory), but now is also available for stand-alone download. We have split the development of this project with that of APBS - all future updates to PDB2PQR will be made and released from the PDB2PQR SourceForge page.

There have been several improvements to the code since its last update, including pKa support via PropKa, a new hydrogen optimization algorithm which should increase both accuracy and speed, and general bug fixes.

Two mailing lists have been set up for PDB2PQR discussion - pdb2pqr-announce, for announcements regarding major releases, and pdb2pqr-users for general troubleshooting and help. There are also several trackers on the main sourceforge page for submitting bugs, feature requests, and more. All of these features can be accessed at

http://sourceforge.net/projects/pdb2pqr

Thanks for your interest!

Todd Dolinsky

Posted by Todd Dolinsky 2005-08-23