NCS avg. in DM

["Jay.Nix" <nix@darwin.UCSC.EDU>]

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Hello all,
  I have a question regarding ncs averaging in dm.  I have a crystal with
two molecules in the assymetric unit, and I have been trying to use dm to
average the density of the two molecules.  The program seems to run fine
for a while and then gives the following error:

 REAL/FREE-R MASKS:
   1.00 of free solvent sphere lies in solvent
   0.52 of free protein sphere lies in protein

 dm:   freemask - cannot get free sphere: Use SOLIN mask or REAL card
 Times: User:     297.5s System:    0.6s Elapsed:    5:08


I have tried to get it to work by using the REAL card to get the program to
ignore the sphere calculation with the following script:

#!/bin/sh

# solvent/histogram calculation with dm using a fixed free-r set, starting
# 3.0A and extending from there

# freerflag hklin eden9_20.mtz hklout eden9_20_free.mtz </dev/null

dmnew hklin eden9_20_free.mtz hklout eden9_20ave.mtz ncsin1 sym_mask.msk
<<EOF > dm_ncs.log
solc 0.40
mode solv hist mult aver
WANG 6.0 2
COMBINE OMIT FREE 2
SCHEME ALL
AVERAGE 2

OMAT
    1.000000    0.000000    0.000000
    0.000000    1.000000    0.000000
    0.000000    0.000000    1.000000
    0.000000    0.000000    0.000000

OMAT
    0.50205    -0.86481    -0.00715
    0.86484     0.50205     0.00168
    0.00214    -0.00703     0.99997
  -27.67457    47.74174   -23.84938


REAL SOLV 0.0 0.0 0.0 -1.0 PROT 10.0 10.0 10.0 -1.0
LABIN FP=FP SIGFP=SIGFP PHIO=PHIB FOMO=FOM
LABOUT PHIDM=PHI1 FOMDM=W1
END
EOF
#

..... But I keep getting the same error.  If I try to leave out the REAL line
I get the error and if I leave it in, same deal.  I'm not quite sure how to
use a solvent mask for solin.  If anybody has experience with this issue, I
would really appreciate the help.

                                        Thanking you in advance,
                                        Chris Baugh
                                        Jay Nix

Chris Baugh                            "Sometimes you get shown the light,
Wilson Lab                              In the strangest of places
CMB RNA Dept. Biology UCSC              If you look at it right."
phone: (831) 459-5129                            -J. Garcia, R. Hunter
e-mail: baugh@biology.ucsc.edu