Hi Nasos,
to change your step you have to alter the script since the step of 2 is
coded. It can easily be changed in the script fitting.py (or fitting.scm
for Guile users). There is a line which says:
alter to your tastes, 3, 5, etc.
here the step size (res_step/res-step) is set to 2 (by default). You may
change it here to 5 (or whatever).
Hope this is clear.
Paul, maybe we should consider making this a variable!?!
B
***************************************************
Dr. Bernhard Lohkamp
Div. Molecular Structural Biology
Dept. of Medical Biochemistry and Biophysics (MBB)
Karolinska Institutet
S-17177 Stockholm
Sweden
phone: (+46) 08-52487698
fax: (+46) 08-327626
email: [log in to unmask]
----- Original Message -----
From: Athanasios Dousis <[log in to unmask]>
Date: Friday, June 1, 2007 8:19 am
Subject: [COOT] stepped-refine-protein
To: [log in to unmask]
> Hello,
>
> I wish to use (stepped-refine-protein) for real space refinement,
> but I'm
> unable to change the range/step size. I've tried unsuccessfully with
> (set-refine-auto-range-step). Is this the correct command, should
> I try
> something else, or am I stuck with a step size of 2?
>
> Here is my simple script for imol 0:
>
> set_refine_auto_range_step (5)
> stepped_refine_protein (0)
>
> I'm running Coot v0.1.2 in Win XP Pro.
>
> Thanks,
> Nasos
>
> P.S. To the authors, thank you for this great tool.
>
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