Hi Folks,
Thanks for all your replies on this. It turns out that the two responses
which were closest were Eleanor Dodson pointing me to the CCP4
documentation, where it says "you have probably made a mess of
processing" and Peter Zwart saying that the second moment etc. are very
sensitive to err
On Thu, 2007-06-07 at 05:39 +, U Sam wrote:
> Hi would appreciate suggestion/comments.
> I am having a problem of opening .fcf file (created by shelx) in a new
> version of COOT (0.2, January 2007)
> ((safe_scheme_command) Error in proc: key: unbound-variable args:
> (#f Unbound variable:
> Finally chances are that coot uses an environment variable to call coot.
nya, I meant a variable to call awk..., sorry for the typo.
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Has anyone tried to model crystal symmetry using google sketchup yet?
I was about to have a go but thought that others might have got there
first... if so has anyone done P6422?
Simon
Hi all,
Does anybody have a program which can calculate anomalous differences or
F+ and F- from a refined structure at given wavelength and resolution ?
Thanks
Santosh
Santosh Panjikar, Ph.D. [EMAIL PROTECTED]
Staff Scientist
EMBL Hamburg outstation http://www.em
Santosh Panjikar wrote:
Hi all,
Does anybody have a program which can calculate anomalous differences or
F+ and F- from a refined structure at given wavelength and resolution ?
Thanks
Santosh
Santosh Panjikar, Ph.D. [EMAIL PROTECTED]
Staff Scientist
EMBL Hamburg outstation
Dear Santosh,
You can do it easily with XPREP, but you need first to convert PDB format
into SHELX .ins format using the 'I' option in SHELXPRO (just answer all
questions with for this purpose), then start XPREP without an
input file and give the name of the .ins file when it prompts for a
fi
For a project with lots of data collected and therefore long file names to
remember which is which, we keep running into
>> CCP4 library signal ccp4_parser:Line is longer than allocated
length, so
truncated (Success)
raised in ccp4_parser <<
and then a bit later on:
has failed w
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I wrote a CCP4 script for this:
http://bl831.als.lbl.gov/~jamesh/mlfsom/ano_sfall.com
The script is actually based on a CCP4BB reply from Elanor I found in
the archives. It does Elanor's jigery-hokery, and a few other things.
The script is meant to be the front-end for a simulator so I did a
And just to be complete . . .
Solve will calculate data with the anomalous component for you,
although you can't stop it from adding some "experimental" error.
Phenix.refine is another option.
Pete
Hi Santosh,
Here is an alternative to methods mentioned earlier. If you get the
latest version of the cctbx or cci_apps (from www.phenix-online.org) you
will find a new application named phenix.xmanip (or mmtbx.xmanip if you
only download the cctbx).
xmanip has some useful features, one of t
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