Re: [ccp4bb]: idealize

[Tim Grüne <grune@embl-grenoble.fr>]

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Hello Bernhard,

if you click with the mouse pointer to the box right next to 'Do' in the
Refmac5 interface, about the second line from top right underneath 'Job
title', you'll get a list, one of its items being 'structure
idealisation'. Doing this generates a script with 'TYPE IDEA', at least in
ccp4i from ccp4-4.2.1 and ccp4-4.2.2.

That's not really a trick, I'm afraid, but it does what you want, if I
understood you correctly.

Cheers, Tim

--
This life is a test.  It is only a test.  Had this been an actual life,
you would have received further instructions as to what to do and where
to go.
--
Tim Gruene, grune@embl-grenoble.fr
EMBL Outstation Grenoble
6 Rue Jules Horowitz
BP 181
F-38042 Grenoble Cedex 9
France


On Wed, 22 Jan 2003, Bernhard Rupp wrote:

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>
> Dear All -
>
> is there a way  to use/trick the ccp4i refmac panel
> to select 'idealize geometry',
> aka TYPE IDEA in the scripts ?
>
> Setting the X-ray weight to 0 kinda does it..
>
> Thx, br
>
> ------------------------------------
> Bernhard Rupp
> c/o
> Dept. of Biochemistry and Biophysics
> 2128 Texas A&M University
> College Station, TX 77843-2128
> cell 925 209 7429
> lab  979 862 7639
> sec  979 862 7636
> fax  801 880 3982
> ------------------------------------
>