You are absolutely right. Although the idea in my message was that if
you are in certain environment and do something in that environment then
it's kind of natural to expect the output features are related to that
environment. Example? I wouldn't be very frustrated if CNS refuses to
read in SHELXL's .ins file. But again, you are right, thanks people for
great scripts. So, I don't see anything hard to understand -:)
Cheers,
Pavel.
Partha Chakrabarti wrote:
Hi,
The assumption is hard to understand. We are thankful to the community
who are developing the great programs (and teaching), and with limited
experience, I think it is good to have choices. So, thanks also to
people who provide such scripts.
If we have to convert file formats, then whats wrong with good old
CNS? Requires less memory to run on a laptop [:P].
Best, Partha
On 9/27/07, *Pavel Afonine* < [EMAIL PROTECTED]
<mailto:[EMAIL PROTECTED]>> wrote:
Hi,
Just to explaine: it is "assumed" that if you came from using phenix
AutoSol and AutoBuild then for refinement you use phenix.refine
(refinement program in PHENIX). phenix.refine uses 1 for TEST and
0 for
WORK (similar to CNS). It is not clear to me at all why you need to do
the swap.
Pavel.
Petra Lukacik wrote:
> I have a mtz file (output from phenix AutoSol and AutoBuild)
where the
> FreeR flag for the test set has a value of 1 and and the
working set
> has value 0. This is opposite to the ccp4 default where the
FreeR set
> used within refinement is flagged as 0. Is there a way to swap
the two
> around so that my file has the ccp4 default arrangement?
Preferably I
> would like to avoid conversion to ASCII reflection file formats (and
> back to mtz).
> Many thanks
>
> Petra
>
> ------------------------------
> Dr Petra Lukacik
> NIDDK, NIH
> Building 50, Room 4507
> 50 South Drive
> Bethesda
> MD 20892
> USA
> Tel: 301 594 9231
> -----------------------------
--
MRC National Institute for Medical Research
Division of Molecular Structure
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Email: [EMAIL PROTECTED] <mailto:[EMAIL PROTECTED]>
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