Subject: Fluor atoms in AUTODOCK

From: "Sergio Manzetti" <[email-masked]>
Date: Tue, 21 Aug 2001 10:32:25 -0700

Hello everyone, I am trying to dock a ligand with three fluor atoms onto a
receptor. The PDBQ file must contain the right abbreviation for the atom,
according to the relevant references from Scripps, but the F for fluor
(obtained from autodock website) is not recognized by the autodock3 script.
Has anybody an idea of what kind of abbreviation I must use?

Best Regards

Sergio

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___________________________

Sergio Manzetti
Research Scholar
Centre of Molecular Biotechnology/ Supercomputer Facility
Queensland University of Technology
2 George St.
BRISBANE
4000 QLD
AUSTRALIA
email: [email-masked]
Tlf: +61 7 3864 1434
www:  http://www.life.sci.qut.edu.au/html/research/cmgenetics.html
www2: http://www.its.qut.edu.au/hpc/