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Re: [ccp4bb]: xyzlimit
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Dear Bernhard et al ...,
> REFMAC, EXTEND, and FFT run fine.
Eleanor always says EXTND is out of date ... use MAPMASK ;-)
> ARP finally gets mad at me as follows:
'getting mad' is distinctively different from stopping with an error
message (cunningly labelled ***** ERROR *****).
The exact problem is even highlighted with '<==' and the note
'this is incorrect' .. see below for details ...
> Map grid (X,Y,Z) 128 128 512
> Map limits X 0 128 Recommended 0 64
> Map limits Y 0 128 Recommended 0 64
> Map limits Z 0 64 <== This is incorrect Recommended 0 256
> ***** ERROR *****
> What is different in ARP compared to the other programs that take my grid
> Do I need xyzlimits in (0 128 0 128 0 64) format and not fractional?
Well, it says you what the correct limits are:
So, you need ( 0 64 0 64 0 256 ) exactly as it says 'recommended'
if it needs ( 0 64 ) and you have more ( 0 128 ) as for a,b it does nto matter
but it tells you ...
> Do I need the FULL cell in the xyzlimits? But this is not P1 as in general
No, you do not need the full cell. ARP has its own idea of what you need
which might be different than other software (and slightly confusing to be
but at least it tells you what it needs ...
ARP for sg 96 uses that au definition:
Asymmetric unit limits 1 / 2 1 / 2 1 / 2
So, before reading in the map just:
mapmask mapin in.map mapout out.ext <<eof
xyzlim 0 0.5 0 0.5 0 0.5
Getting boring again, but you can always download ARP/wARP 5.1
full distribution from www.embl-hamburg.de and not worry about these,
at least for standard tasksthings run automatically.