CCL: Iinduced Fit Docking with Prime and Glide
- From: Jean-Christophe Poully
<poully,galilee.univ-paris13.fr>
- Subject: CCL: Iinduced Fit Docking with Prime and Glide
- Date: Tue, 25 Nov 2008 11:41:44 +0100
Sent to CCL by: Jean-Christophe Poully [poully..galilee.univ-paris13.fr]
Dear CCLrs,
I am a newbie using the Induced Fit Docking
softwares from Schrödinger, Prime and Glide, and
I am trying to dock a small ligand to Beta
Amyloid. The protein preparation, Glide first
docking and determination of residues for
refinement steps succeeded but unfortunately the
Prime active site refinement failed and I found
in the log file that all the jobs died because
the "SEQ_FILE option" was not specified. I have
no idea of what happened, if somebody has a clue
it would be really great! Thank you very much by advance...
Best regards,
Jean-Christophe Poully
Doctorant dans l'équipe AMIBES
Laboratoire de Physique des Lasers
Institut Galilée
99, avenue JB Clément
93430 VILLETANEUSE
Bureau B002
0149403853