Subject: An unreproducible error: autodock3 dies upon launch with multiple errors

From: "Dr. Garrett M. Morris" <garrett..at..scripps.edu>
Date: Mon, 20 Jun 2005 16:30:49 -0700

Hi Robyn,

Thanks for sending me the 4 input files and the information about  
your SGI hardware and OS version.

I tested the compiled AutoGrid and AutoDock executables we are  
currently distributing on one of our SGIs running the same version of  
IRIX as your machine, and AutoGrid computed the maps fine. When I ran  
AutoDock it complained that:

./dist305/src/autodock/autodock3: I'm sorry; I can't find or open  
"DPN_adt2.out.pdbq"
________________________________________________________________________ 
________

[1]    Exit 255               ./dist305/src/autodock/autodock3 -p  
2c9_HEMq_FLPq.dpf -l log.dlg

so I edited the DPF you sent me to look for the ligand PDBQ file you  
sent me (DPN_adt2.out.pdbq), and re-ran AutoDock.  Everything worked  
fine.  So I am mystified as to why you had this problem.  Is is  
possible that you did not have any disk space and the maps have a  
size of 0?   Did you or someone else modify the source code we sent  
you, and re-compile AutoDock?  When did you download AutoDock--could  
it be you have a really old binary?

Sorry I can't be more helpful,

Garrett

___
Dr Garrett M. Morris, MA, DPhil
The Scripps Research Institute,       tel: (858) 784-2292
Dept. Molecular Biology,  MB-5,       fax: (858) 784-2860
10550  North Torrey Pines Road,       email: garrett..at..scripps.edu
La Jolla,  CA 92037-1000,  USA.       www.scripps.edu/mb/olson/gmm