Errors when docking ligand

[Susan Heffron <sheffron(-(at)-)uci.edu>]

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