Subject: Errors when docking ligand

From: Susan Heffron <[email-masked]>
Date: Fri, 12 Jul 2002 13:15:47 -0700

Robert and CCL,

> When I try to run the docking with this particular ligand, I get the
following
> error message:
> 
> autodock3: ERROR: ERROR: 7 atom types declared in "", S_line "CANOSHF";
> maximum allowed is 6.
> Change "ATOM_MAPS" in "autocomm.h"
> autodock3: Aborting...

I solved this problem by re-compiling autodock.  The change required is
in the file autocomm.h:

 change line:   #define ATOM_MAPS  6
 to be:         #define ATOM_MAPS  8   (or however many you need)

It sounds like you made this change to autocomm.h already.  What is then
required is to re-compile the program by typing the command "make".

                        Susan Heffron

P.S. In my particular case, on an SGI, I had to make the following
changes to the Makefile to get it to run without error messages:

 old line:  OLIMIT = $(CSTD) $(OPT)           # SGI, Sun, HP, Convex,
...
 new line:  OLIMIT = $(CSTD) $(OPT) -OPT:Olimit=2442   # Some SGIs.

 old line:  DBUG = -DNDEBUG   # No debugging and no assert code.
 new line:  DBUG =            # Use assert code. 
==========================================================================

                                  Thanks,
                                  Susan Heffron