How to make solving protein structure a automated job?

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Rajiv Tyagi
Rajiv Tyagi's picture
How to make solving protein structure a automated job?

Hi everybody,
I just became member of this new sprouting forum. I am about to finish my PhD in protein engineering from University of Queensland, Australia. I had really hard time in solving the phase of my first protein structure and finally building and refineing it? I thought of statrting this topic because we all somehow want to have an accurtae automated system but ome bits together we may a solution where solving structure won't be a nightmare???????????
so lets start our search...................

Bettye
Bettye's picture
Rajiv Tyagi wrote:Hi

Rajiv Tyagi wrote:

Hi everybody,
I just became member of this new sprouting forum. I am about to finish my PhD in protein engineering from University of Queensland, Australia. I had really hard time in solving the phase of my first protein structure and finally building and refineing it? I thought of statrting this topic because we all somehow want to have an accurtae automated system but ome bits together we may a solution where solving structure won't be a nightmare???????????
so lets start our search...................

I have attempted to solve the phase problem in x-ray diffraction for the past year. My approach was to try to use AFM as a complementary technique to x-ray crystallography. So, I've been trying to image DNA crystals and obtain lattice resolution. My thought was to locate the unit cell.

So far I have been unsuccessful, mostly because my crystals keep melting and the instrument that I use is unstable.

holeung
holeung's picture
Well, it's a lot easier now

Well, it's a lot easier now than it used to be! :) There are several groups working to streamline and simplify the software, going from data collection to model building. Some software packages are Elves (http://ucxray.berkeley.edu/~jamesh/ and developed in our laboratory), PHENIX (http://www.phenix-online.org/), and ANTS (can't find the web site right now).

BigD
BigD's picture
It will be coming soon (maybe

It will be coming soon (maybe) I have heard HKL2000 data processing program is being linked with other phasing programs to take data through electron density maps and finally automated building. Dont know if it is available yet.

ted9999
ted9999's picture
The high thru put strutcure

The high thru put strutcure determing facilities already have the process automated.  They are using simple scripts to run between their desired crystallographic programs.