[phenixbb] Phenix MTZ files,

[Vellieux Frederic]

Hi,

An mtz file contains structure factor amplitudes, standard deviation 
values for these, for crystallographic data, i.e. structure 
determination by crystallographic methods. If you have modelled a 
structure (starting from an amino-acid sequence and from sequence 
homology data) then you do not have such crystallographic data and you 
cannot "refine" as you mention it. There are several tools on the 
internet for the regularization of structure (using "energy 
minimization" - I am surprised that modeller does not contain such 
tools). For example, the molecular graphics program contains such tools, 
but there are other tools as well.

Fred.

Saba Ferdous 154-FAS/BSBI/F05 wrote:
> Dear Phenix users
> I am new to Phenix..probably my question might be childish to you. so 
> with appologies, 
> I have predicted protein structure by using modeller, i want to refine 
> my structure but i am unable to know that what is MTZ files n CIF 
> files because i have only my PDB. And i want to fix beta deviations 
> and outliers, bad angles and bad bonds in my structure.
>  kindly help me and suggest me that what can i do to refine my structure.
>
> Best Regards
>
> -- 
> Saba Ferdous
> Research Scholar (M. Phil)
> National Center for Bioinformatics
> Quaid-e-Azam University, Islamabad
> Pakistan
>
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