Sorry, I just figured out how to post to the CCP4bb instead of sending a private email.

Here are two missed messages that I think should appear on the board:

----- Original Message ----- From: "Miles Pufall" <[EMAIL PROTECTED]>
To: "Zhijie LI" <[EMAIL PROTECTED]>
Sent: Tuesday, February 19, 2008 5:03 PM
Subject: Re: Check the conformation of one important amino acid


Hi -

I've never tried it!  Fast and easy is good...I'll try it out.

I have found both SA-omit and composite omit maps to be very helpful - I've found alternate potential alternate builds and flat out wrongheaded model building, but I am nowhere neae as experienced as Dr. Rice, so maybe I need the check more than she does. I think that computers have gotten fast enough that taking too long isn't as big an issue as it once was. I calculated a full composite omit map on an older MacBook Pro of a 1.7 angstom 32KDa structure and it took about 3 hours. Any desktop will do better than that.

Give it a try and see if what you get!  Good luck.

Miles
On Feb 19, 2008, at 12:08 PM, Zhijie LI wrote:

What about Bhat's omit program included in the CCP4 package? I found it to
be very fast and easy to use. Also it allows to manipulate the map
coefficients.

I had read a summary that Dr. Rice made in 2002 about the omit map
calculations: http://www.ysbl.york.ac.uk/ccp4bb/2002/msg01030.html. I wonder
if there have been any updates during the last 5 years?



Miles Pufall
Postdoctoral Scholar
Yamamoto Lab
UC San Francisco
Cellular and Molecular Pharmacology
Mail Stop 2280
600 16th Street, Genentech Hall S-574
San Francisco, California 94158-2517
(415)476-4480




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