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We are happy to announce the release of PCC (Personal Chemistry Client) = version 1.1. PCC is=A0 Opensource software , that means FREE OF CHARGE. PCC = provides free molstructure searches (Exact, Substructure and similarity) and allows to combine molsearches with searches for non chemical data. PCC supports = all major local and multi-user datasources (textfiles, MS Excel, MS Acccess, = Oracle, MySQL, SQLServer). PCC also allows access to server (remote) = databases.

Now, you can create chemical databases via import of MDL SDFiles. This is = fully automated and you can create database for PCC without any help. With PCC = you can view, browse and search in your SDFiles.

Major new features in release version 1.1

=B7 Import of MDL = SDFiles

PCC version = 1.1 provides a simple to use graphical user interface (GUI) to load data = > from MDL SDFiles. The creation of a structure searchable chemical database from = SDFile could be as simple as three mouse clicks. The GUI also covers more sophisticated operations like custom mappings, skipping of import of = certain SDFile fields, handling of multi line data etc.

PCC version = 1.1 supports automatic creation of chemical databases from SDFiles for MS = Excel and text based databases. PCC creates all necessary delimited textfiles to = load SDFile data in server databases like Oracle, MySQL or SQLServer. Those = must be=A0 loaded manually.

Irrespective = of the target datasource, no manual configuration work is necessary to run the = PCC SDFile importer.

=B7 Import/Export of lists

PCC version = 1.1 allows to save/load search results to local list files thus allowing you = to share PCC search results with other PCC users.

=B7 Validated query = input

PCC version 1.1 provides a guided way for query input that means the = user only sees the operators applicable to the search field, respectively he can = pick > from a list of predefined search operators.

=B7 SMILES support

PCC version = 1.1 allows using SMILES strings for molstructure searches, That means you = can use free JAVA based chemical drawing packages that support to put SMILES = strings to the clipboard to draw your molstructure query and execute the search in = PCC.

Other enhancements in PCC version 1.1 are enhanced help and various usability enhancements.

You can download PCC version 1.1 from either the PCC homepage www.akosgmbh.de/pcc or from www.openchemsoft.eu.

The new MDL SDFile import feature allows you to easily evaluate PCC using meaningful data contained in your corporate or favourite = SDFile.

Give it a try and download and install PCC version 1.1 and find out how = PCC can help you in your daily work.

With best regards,

Alexander Kos and Hans-J=FCrgen Himmler

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AKos Consulting & Solutions Deutschland GmbH

(AKos GmbH)
Dr. Alexander Kos
Austr. 26
D-79585 Steinen
Germany

Phone: +49 7627 970068

Fax: +49 7627 970067

Fax (to mail): +49 1805 744743 8318
Mobile +49 171 526 9392

E-mail<= span lang=3DEN-US>: = akos,akosgmbh.de
Homepage: www.akosgmbh.c= om
Registered at Amtsgericht Freiburg HRB 700872

General Manager: Greta Auf der Maur, Alexander Kos

Authorized agent for Elsevier MDL (www.mdl.com), Material Science International Services, GmbH (www.matport.com), DIMENSION 5, Ltd. (www.miner3d.co= m), CompuDrug International (www.compudrug.com), Molecular Networks GmbH (www.mol-net.de), and others.
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