[sharp-discuss] solvent flattening error in p61 and p6522
Clemens Vonrhein
vonrhein at globalphasing.com
Wed Jul 6 13:27:04 BST 2005
Dear Stefan,
it seems the CCP4 distributed sftools binary for IRIX that is buggy. I
have no problem reading it on
1) Linux - using either the CCP4 distributed binary or my own
compiled ones
2) True64/OSF1 - using either the CCP4 distributed binary or my own
compiled ones
3) IRIX - using my own compiled ones (f77 or f90)
The only one where I get the error
!!! Error, too large indices (> 512) occur !!!
!!! Fatal error while reading reflections !!!
0 reflections read successfully
Trying to clean up the mess
Deleting new columns
Deleting new reflections
is the CCP4 distributed IRIX binary. So I recommend to re-compile CCP4
5.0.2 for SGI/Irix yourself: good opportunity to also apply all the
patches from the problems page. You can make it easy for yourself if
you use my ccp4_cv.sh script.
I guess this particular MTZ file (spacegroup? Number of reflections?
sort order?) triggers this bug when others don't. Could be a simple
memory problem (tricky to hunt down though ...).
Cheers
Clemens
On Wed, Jul 06, 2005 at 03:31:48PM +0200, Stefan T. Arold wrote:
> me again...
>
> I think this might be important:
> sharp solvent flattening seems to run fine for another dataset in SG
> C2221! The problem really seems specific to p61. Could it be something
> with the convention for the sort order being different for p61 in
> mtzdump - sftools ?
>
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