Re: [modeller_usage] How can I get MolPDF of an existed PDB file of an model

[Modeller Caretaker <>]

Yun He wrote:
> On Thursday 08 June 2006 09:40, you wrote:
> > The PDB files produced by Modeller also contain the molpdf, as a REMARK
> > at the top of the file, so you can just read this. If you refine the
> > structure, you should write out a new PDB file, which will contain the
>                       ~~~~~~~~~~~~~ write out?? If I refine this model with 
> Refmac5 in CCP4, the refined model written by Refmac5 doesn't contain any 
> header remark about molpdf, how should I get the molpdf? Is this molpdf the 
> same as the one of the model not refined, or there are any ways to 
> re-calculate its molpdf?

Scoring functions used by different programs are almost never 
comparable, so you can't do this. All you can do is to, like I said, 
write out the refined structure and then recalculate its molpdf in Modeller.

	Ben Webb, Modeller Caretaker
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