Re: [ccp4bb]: arp/warp in ccp4i

[Anastassis Perrakis <perrakis@nki.nl>]

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Garib N Murshudov wrote:

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>
> It usually means either there is no atom in the input file or all atom names
> are so tht they can not be converted to element names.
>

Indeed. That occurs usually because of an earlier failure to the building stage
of arp/warp.
arp_0.pdb HAS to have atoms - namely free atoms from the building stage.

If you look carefully in the log file, I think there is an error message BEFORE
the one
from refmac. The program should had stopped then but it goes on due to a bug.
You should try to correct the earlier error or mail me if you can not figure it
out yourself.

    Tassos

>
> Regards
> Garib
>
> On Wednesday 31 Jul 2002 12:06 am, Huiying Li wrote:
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> >
> >
> > I got the following error while testing the new version of apr/warp
> > using all the default setting under CCP4i:
> >
> >  Input file :arp_0.pdb
> >   ERROR: reading title of input file
> > ===> Error: No Scatterers
> >  Refmac_5.1.24:  No Scatterers
> >
> > My input MTZ is a SHARP/Solomon refined phase set at 1.75A. Running mode
> > "automated model building starting from experimental phases" was
> > chosen. The arp_0.pdb file is empty since I wanted to test auto-building
> > from scratch. I don't know why REFMAC seems to expect some coordinates
> > from it. The same set of data had been successfully used for automated
> > model building with older version of arp/warp interfaced with old REFMAC.
> >
> > Any help would be appreciated.
> >
> > Huiying
> > --------------------------------------------------
> > Huiying Li, Ph. D
> > Department of Molecular Biology and Biochemistry
> > University of California at Irvine
> > Irvine, CA 92697, USA
> > Tel: 949-824-4322(or -1797);  Fax: 949-824-3280
> > email: hli@bragg.bio.uci.edu
> > --------------------------------------------------
>
> --
> Garib N. Murshudov, Chemistr Department, University of York
> Tel: (01904) 328252

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