From hyang@rcsb.rutgers.edu Thu Mar 23 15:20:03 2006
Date: Thu, 23 Mar 2006 09:36:10 -0500
From: Huanwang Yang <hyang@rcsb.rutgers.edu>
To: P.J.Briggs <P.J.Briggs@dl.ac.uk>
Cc: John Westbrook <jwest@rcsb.rutgers.edu>
Subject: Re: Use of PROCHECK at RCSB

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Hi Peter
It is nice to hear from you.  I am not sure for the PROCHECK. I just 
have a fewer comments for the SFCHECK.

1. The data items for anomalous data should be changed to
_refln.pdbx_I_minus
_refln.pdbx_I_minus_sigma
_refln.pdbx_I_plus
_refln.pdbx_I_plus_sigma

_refln.pdbx_F_minus
_refln.pdbx_F_minus_sigma
_refln.pdbx_F_plus
_refln.pdbx_F_plus_sigma

2.  If there are more data blocks in a file, SFCHECK will read all the 
data. It is better to read in only one data block, since different data 
sets may be used for different purpose (e.g. one for refinement, and one 
for phasing).

Best regards,
Huanwang

P.J.Briggs wrote:

>Hi John and Huanwang
>
>How are you both doing? We're considering a suggestion that the
>Ramachandran plots generated by the version of PROCHECK distributed by
>CCP4 (version 3.5) should be updated to reflect recent work based on the
>best residues from the Richardson 'top 500' best-determined structures
>list.
>
>The reason I'm contacting you is that I understand that the RCSB uses
>PROCHECK as part of its validation service. Would an update along these
>lines of the program output be of interest to the RCSB? We are not sure
>yet if it is practically possible, as we will need permission from the
>PROCHECK authors to make the changes first.
>
>On a different note: I'm going to be seeing Alexei at a meeting in York
>next week, and I was planning to talk to him about the CIF input to
>SFCHECK. Essentially I have the points that we already talked about at
>Rutgers earlier this month, however if there have been any developments
>then please let me know so that I can bring these up too.
>
>Thanks for all your comments, best wishes
>
>Peter
>
>--
>___________________________________________________
>Peter J Briggs, pjx@dl.ac.uk   Tel: +44 1925 603826
>CCP4,           ccp4@dl.ac.uk  Fax: +44 1925 603825
>                http://www.ccp4.ac.uk/
>Daresbury Laboratory, Daresbury, Warrington WA4 4AD
>
>
>  
>