[ccp4bb]: stucture factor calculation

[syed ibrahim <b_syed_ibrahim@yahoo.com>]

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Dear All,
Hope u r fine. I am analysing the ramachandran plot
for my structure. Some of the main cahin and side
chains residues appearing in the disallowed region. I
adjusted the phi, psi, chi1 and chi2 values using
electron density. Then I refined the structure (in
both Refmac5 and CNS - Rfactor does affected in CNS)
and checked the ramchandran plot, the residues which i
moved coming back to the same disallowed region. what
can i do for?
Is there anyway to calculate only structure factor by
refinement for the (phi,psi, chi values adjusted)
coordinates, to check whether it affects the R-factor?
(so that i can use the adjusted coordinates without
doing further refinement as such) i dont know how to
do it?
Pls help me. Thankz in advance.

syed


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