resolution limits were the same while there is a small difference in the sphere value - 16 and 17. what had accounted for the difference in the R-factors is teh model_cell parameters. while through scripts I had given the values 60,60,60; auto- amore had picked up the values 62,40,40 approx.
regards
thiyaga
"Eleanor J. Dodson" <ccp4@ysbl.york.ac.uk> wrote:
S. Thiyagarajan wrote:
> dear ccp4 users
>
> I found a great difference in running AMoRe through GUI and the same
> using the scripts. there was a difference of 10% in the R-factor in the
> final refine fitting outputs of the two runs.
>
> has anybody come across such a thing. I ve checked the other parameters
> for any differences
>
> bye
>
> Thiyagarajan
>
>
This should be impossible IF the GUI and the scripts use the same
parameters; eg, resolution limits, search sphere radius etc etc..
Obv if these are different the results will be different..
Or have I misundrstood something?
Eleanor
>
> ===================================================
> == S. Thiyagarajan ==
> == Research Scholar ==
> == Department of Cr! ystallography and Biophysics ==
> == University of Madras, Guindy Campus ==
> == Chennai - 600 025. India ==
> ===================================================
>
>
> ------------------------------------------------------------------------
> Do you Yahoo!?
> Yahoo! Web Hosting -
> establish your business online