[sharp-discuss] Solvent flattening falls at first hurdle

[Derek Logan]

Hi,

I'm trying to do a solvent-flattening run after SHARP, and it always=20
crashes at the very beginning. The error message in question is found at=20=

the foot of the following block:

Directory ...................................... /localscr/Lysozyme.2
Date ........................................... Sun Nov 24 17:02:53 CET=20=

2002
Spacegroup ..................................... P43212 (96)
Cell ........................................... 78.5440 78.5440 37.1470=20=

90.0000 90.0000 90.0000
Resolution limits .............................. 39.273 - 1.450 =C5
Solvent fraction ............................... 0.390
Flipping factor ................................ -1.5641
Radius of solvent sphere ....................... 3 - 1.450 =C5
Protein to solvent density ratio ............... 1.34375
Truncating min / max density in protein ........ 0.4 0.99

  no. of cycles .................................. 10 + 93 + 10

------------------------------------------------------------------------


                    sd of solvent before flattening
  I(1) (SOLOMON) =3D ---------------------------------
                           sd of protein

  I(2) (SFALL)   =3D Overall reliability index

  I(3) (RSTATS)  =3D R-factor

  I(4) (SIGMAA)  =3D Overall Correlation on |E|**2

  directory listing
------------------------------------------------------------------------

  /usr/local/xtal/sharp/bin/sharp/solomon.sh: test: argument expected

---------

In the DENMOD_xxpc.html file I find:

=A02.1 Using solvent content 28.6 %
=A0=A0=A0(details)

  ERROR=A0=A0 : unable to determine correlation!

----------

The strange thing is that solvent flattening used to work (last used in=20=

April 2002), the only thing I've done is to restart the server so the=20
server configuration should be the same. Is it normal that the solvent=20=

flattening process tries to use /localscr/projectname rather than=20
/localscr/user/projectname? We've had problems with SHARP in the past=20
which were due to my home directory being read-protected for anyone else=20=

but me (Mandrake LInux changes them back to this approximately every=20
hour) but /localscr is open for everyone.

Any suggestions?
Derek