Re: [ccp4bb]: conversion of .phs phase file (xtalview) to .mtz format

[Paul Hubbard <phubbard@post.its.mcw.edu>]

***  For details on how to be removed from this list visit the  ***
***          CCP4 home page http://www.ccp4.ac.uk         ***

Hi there,

For starters, the script I gave you was an example! Have a look at the
...phs file. I think you actually need the following (As per A.P.'s
previous e-mail!), judging by your earlier e-mail:

format '(3f4.0,f9.2,f8.4,8x,f8.2)'

LABOUT H K L FP FOM PHIB

How are you making the maps?

Good luck

Ram Thaimattam wrote:

> Dear AGS,
> I could generate mtz file from .phs file as suggested.
> the command file contained following lines
> /programs/ccp4/bin/f2mtz HKLIN anzn.phs HKLOUT tmp1.mtz << e
> SYMM P21212
> CELL 47.294 58.715 19.324 90.000 90.000 90.000
> format '(3f4.0,f11.2,f8.2,f7.3,4f11.3)'
> skipline 0
> LABOUT H K L IP FOMS PHIS HLA HLB HLC HLD
> CTYPOUT H H H I W P A A A A
> END
> e
>
> f2mtz repoted normal termination but the fft to get O map fails
> reporting the following message,
> FFT:  *****  Essential columns not assigned ****
> i hope you have a solution for this problem too.
> thanking you,
> sincerely,
> ram

--
Paul Hubbard
Dept. of Biochemistry
Medical College of Wisconsin
Phone: 414-456 4305
Fax: 414-456 6510
URL: iris9.biochem.mcw.edu