Re: [ccp4bb]: ESD of distances!

[Ethan Merritt <merritt@u.washington.edu>]

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On Monday 18 March 2002 09:48, rams@poori.biochem.uiowa.edu wrote:
>
> As a small molecule crystallographer in my previous birth, I used a
> program  called PARST (by Prof. Nardelli) to calculate the Min and MAxi
> distances between atoms taking into account the B-factors of atoms.  I
> cannot use PARST now as my molecule is too big.

> P.S:  I am now refining two more proteins at this resolution the sizes are
> from 60AA in asym, 325AA in Asym unit and 1500AA in asymm unit.  So, I do
> not want to be changing dimensions in PARST to do 1500AA.....

Why not?  You apparently had enough memory to do full-matrix in shelx,
so you must therefore have ample memory for the PARST arrays.

-- 
Ethan A Merritt       merritt@u.washington.edu
Biomolecular Structure Center Box 357742
University of Washington, Seattle, WA 98195
phone: (206)543-1421
FAX:   (206)685-7002