[phenixbb] For your consideration: Table 1

SIPPEL,KATHERINE H ksippel at ufl.edu
Thu Jan 28 17:27:30 PST 2010

Dear PHENIX programmers,

I would like to preface this comment by saying that I love your 
suite of programs. I have converted to a 100% PHENIX fan girl and 
am dragging the rest of my lab down with me.

I realize that you have a lot on your plates right now, what with 
all the bug fixes, updates, and bulletin board troubleshooting 
that you do. I am also primarily a biologist and have no 
comprehension of the effort required to keep everything running, 
but I do have a suggestion/request.

I was putting the finishing touched on the first draft of a 
manuscript today and thought to myself, wouldn't it me wonderful 
if PHENIX could generate that all important crystallographic Table 
1. You know the one that I am talking about with the data and 
refinement statistics. I am thinking a combination of PDB_EXTRACT 
and MOLEMAN where you input the log files from scaling and 
refinement and it outputs a handy-dandy test file with 
"parameter<tab>number that could easily be imported into your 
favorite spreadsheet (Open Office or Excel). I envision an 
interface with check boxes for the parameters you want to include 
and a place were you could input the resid of ligands for atom and 
b-factor counts.

Like I said it is just a suggestion, in case you find yourselves 
bored and with time on your hands.

Thanks for your time,


Ph. D. candidate
McKenna Lab
Department of Biochemistry and Molecular Biology
College of Medicine
University of Florida

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