QSAR - Fw: QSAR: FlexX Release 2 issued - faster, more stable, more accurate

----- Forwarded by Accelrys Administrator/Accelrys on 06/28/2005 09:11 AM
-----

Osman F Guner/San Diego/Accelrys
06/28/2005 07:27 AM

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qsar_society|,|accelrys.com
cc

Subject
Fw: QSAR: FlexX Release 2 issued - faster, more stable, more accurate

Osman F. Güner, Ph.D.
Executive Director
Cheminformatics and Rational Drug Design
Accelrys Inc., 858-799-5341
osman[A]accelrys.com, http://www.accelrys.com
----- Forwarded by Osman F Guner/San Diego/Accelrys on 06/28/2005 07:27 AM
-----

Carsten Detering <detering a biosolveit.de>
06/28/2005 04:21 AM

To
osman(~)accelrys.com
cc

Subject
QSAR: FlexX Release 2 issued - faster, more stable, more accurate

Dear Dr. Guener,

Would it be possible to send the message below to the QSAR mailing list?
I have been trying to send it, but there where obviously some server
problems...
Also best regards from Hugo Kubinyi!

Thanks a lot in advance,

Carsten Detering

======================================================================

BioSolveIT recently issued Release 2 of its popular docking software
FlexX. This major new version comprises added functionality, stability
and better performance.

Some of FlexX Release 2's new features:

* For ligand import, Release 2 now supports all major file formats (PDB,
Mol2, SMILES, SDF, SLN, cSLN)
* The new FlexX is about 30% faster than its predecessor
* Completely re-worked static data files for improved chemistry
* SMARTS(TM)-based ligand initialization especially simplifies using
large ligand libraries
* FROMPDB helps extract ligands from a protein pdb-file
* different levels of ligand initialization can be selected directly
  from the command line with the new command SELINIT
* With SELSCO you can now access scoring parameters easily. No more
editing of static data files, tuning of a scoring function now becomes
an easy (and scriptable) task.
* A new module PERMUTE (http://www.biosolveit.de/Permute) protonates
molecules and generates tautomers

If you want to know more about the new FlexX, go to

http://www.biosolveit.de/flexx

If you have questions, comments, suggestions, or any kind of problems
related to FlexX, write an email to

support(~)biosolveit.de

We hope you will enjoy working with Release 2!

Best regards,
-the developers of FlexX

===================================================================

-- 
===================================================================
          The 3rd FlexX DOCKING WORKSHOP will take place
                       November 10-11, 2005
                    Bonn-Cologne, Germany (TBA)
                 Register today! Space is limited.
More information on this high-quality workshop and how to register:
            http://www.biosolveit.de/workshops/2005
We will raffle one free admission among the first ten to register!
===================================================================
BioSolveIT GmbH - An der Ziegelei 75 - 53757 St.Augustin - Germany
Dr. Carsten Detering                       detering**biosolveit.de
Phone: +49-2241-2525-0 / Fax: -525               www.biosolveit.de
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