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Re: [ccp4bb]: Warp question?

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Ronado Nagem wrote:

> Dear all;
> I have a semi-traced free atom model obtained with warpNtrace; but
> unfortunatelly I do not have the mtz file for this model neither the
> 2mFodFc and mFodFc maps.
> How do I get these files, using "arp_warp.sh" and "warp.par" for this
> semi-traced free atom model ?

semi-traced free atom model, according to recent arp/warp terminology is
hybrid-model ;-)

If 'arp_warp.sh mode warpNtrace' finished sucessfully it should had
produced these files.

If for some reason it crashed, find out why and rerun ...   ;-)
(we will be happy to help on finding out why it crashed
if you send logs - do that in private ot me or Victor since its 99% a
and not missuse of the program :(

Maybe run additional cycles if its semi-traced, then it might be
more-traced or even completely-traced !

Else get the semi-traced pdb file (arp_nn.brk) use sfall followed by
or run a few refmac cycles on the latest model
to give you mtz/maps - if you do it through ccp4i its easy ;-)

rem: There's an arp_warp discussion list at www.embl-hamburg.de/ARP
(you can subsribe simply by clicking the button, if your
browser is configured to send/receive email). it might be more
for 'automated script' related things ... nothign against the beatifull
ccp4bb !