Re: [ccp4bb]: Refmac behavior

[Garib N Murshudov <garib@ysbl.york.ac.uk>]

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It happens only on sgi and in new version of ccp4 (4.2.1) it has been fixed. 
You can either take ccp4 4.2.1 or download refmac executables from york's ftp

ftp://ftp.ysbl.york.ac.uk/pub/garib/

regards
GArib

On Tuesday 16 Jul 2002 3:22 pm, Narayanan Ramasubbu wrote:
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> ***          CCP4 home page http://www.ccp4.ac.uk         ***
>
> Hello:  I am experiencing strange behavior with suite 4.2 and refmac5.  I
> have a protein with calcium and chloride ions. The output from 4.2 suite
> is
> +++++++
> ATOM 3946 CA CA X 497 8.145 37.346 10.569 1.00 39.97 CA
> ATOM 3947 CL .      0 8.215 37.340 10.609 1.00 45.03 CL
>
> wheras from suite 4.1.1 is
> +++++
>
> ATOM 3946 CA CA X 497 8.169 37.347 10.557 1.00 24.86 CA
> ATOM 3947 CL CL X 498 9.452 52.761 17.861 1.00 22.71 CL
>
> +++++++++++
> Does anybody know why this happens?
> If I went back to suite 4.1.1 ccp4i 1.2.7 everything seems ok.
>
> subbu

-- 
Garib N. Murshudov, Chemistr Department, University of York
Tel: (01904) 432565