[Date Prev][Date Next][Thread Prev][Thread Next][Date Index][Thread Index]

Re: [ccp4bb]: Hi all,



***  For details on how to be removed from this list visit the  ***
***    CCP4 home page http://www.dl.ac.uk/CCP/CCP4/main.html    ***

Dear Jean-Philippe:

A program model_fcalc.inp in CNS can do this job.

Shengfeng


On Thu, 7 Sep 2000, Jean-Philippe Cartailler wrote:

> ***  For details on how to be removed from this list visit the  ***
> ***    CCP4 home page http://www.dl.ac.uk/CCP/CCP4/main.html    ***
> 
> I'm looking for a program that can calculate Fcalc's from a PDB file.  I
> do NOT have the Fobs or any data.  I need to calculate the "Rmerge" 
> between two sets of Fcalc's (each from independent PDB files).  Call it an
> exercise.  SFALL needs an MTZ (and therefore data, which I don't have), so
> what I need is some simple program that can calculate the Fcalc's.
> 
> Thanks in advance,
> 
> ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
> Jean-Philippe Cartailler
> Dept. of Molecular Biology and Biochemistry
> University of California, Irvine
> Hudel Lab, http://anx12.bio.uci.edu/~hudel/
> 
> "The only existing things are the atoms and empty space; all else is mere
> opinion." Democritus, 5th. century BC
> 	
> ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
>