[sharp-discuss] solvent flattening error in p61 and p6522

[Clemens Vonrhein]

Dear Stefan,


On Wed, Jul 06, 2005 at 12:26:35PM +0200, Stefan T. Arold wrote:
> >Hmmmm ....
> >
> >what version of CCP4 are you running? 
> >
> it's  ccp4-5.0.2_irix_6.5.

Good - although SHARP/autoSHARP should work with CCP4 4.2.2 (b not
necessarily with release pre-4.2.2), I recommend using 5.0.2 now.

> >Is it the 'official' CCP4
> >binaries from their website or did you compiled them yourself? 
> >
> I think the binaries are the official ones. reading from the file 
> BINARY.about:
> About these binaries:
> -------------------------------------------------------
> CCP4 version 5.0.2
> Prepared on system IRIX64 6.5
> using configure irix --with-x --with-netlib-lapack
> -------------------------------------------------------

It is possible, that the sftools binary has a problem. I usually like
to compile my own CCP4 binaries - but it depends if you have compiler
licences on your SGI (and now CCP4 not only needs the C and Fortran
compiler, but also the C++ one).

Could you send me (not the sharp-discuss list) the MTZ file that gives
problems in SFTOOLS (as attachement) - and I can see if the same thing
happens under different systems and/or with different binaries (we
have a whole selection of 18 different sftools binaries for 5.0.2
here).

Cheers

Clemens

PS: if you have all the compilers installed, you can use ccp4_cv.sh
from http://www.globalphasing.com/people/vonrhein/ccp4/ to make the
compilation a bit simpler.

-- 

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