[ccp4bb] Introducing Dials User Interface for CCP4

2018-05-02 Thread luis.fuentes-mont...@diamond.ac.uk
Dear ccp4bb, I am happy to introduce you to the new Dials User Interface (DUI) for CCP4. DUI is a graphical user interface that is designed to make data processing with DIALS more user-friendly and efficient. A key feature is a full history tree that keeps track of all steps of processing.

Re: [ccp4bb] normal-coordinate structural decomposition (NSD) server?

2018-05-02 Thread Sarah EJ Bowman
Hi Mike, Here is a link to a current NSD calculator for heme distortions from planarity available online from the Liptak Group in Vermont: http://mliptak.w3.uvm.edu/nsd.html This uses the method originally developed by Shelnutt. Hope that helps! Sarah

Re: [ccp4bb] normal-coordinate structural decomposition (NSD) server?

2018-05-02 Thread Sarah Bowman
Hi Mike, Here is a link to a current NSD calculator for heme distortions from planarity available online from the Liptak Group in Vermont: http://mliptak.w3.uvm.edu/nsd.html This uses the method originally developed by Shelnutt. Hope that helps! Sarah Sarah EJ Bowman, PhD High-Throughput

[ccp4bb] Post-doc position available at University of Texas Medical Branch (UTMB)

2018-05-02 Thread Choi, Kyung
Post-doc position at University of Texas Medical Branch (UTMB), TX, USA Postdoctoral positions in structural biology are available in Dr. Kay Choi's laboratory at the University of Texas Medical Branch (UTMB) to participate in virus replication projects. We use a combination of X-ray

Re: [ccp4bb] normal-coordinate structural decomposition (NSD) server?

2018-05-02 Thread Hough, Mike
Hi Sarah, Fantastic, thank you! Best wishes, Mike On 2 May 2018, at 16:20, Sarah Bowman > wrote: Hi Mike, Here is a link to a current NSD calculator for heme distortions from planarity available online from the Liptak Group in

Re: [ccp4bb] normal-coordinate structural decomposition (NSD) server?

2018-05-02 Thread Denis Rousseau
John Shelnutt who wrote the program passed away so his web site no longer exists. I suggest you contact Bob Scheidt at Notre Dame Chemistry to get a copy of it. Denis Rousseau From: CCP4 bulletin board [CCP4BB@JISCMAIL.AC.UK] on behalf of Hough, Mike

[ccp4bb] normal-coordinate structural decomposition (NSD) server?

2018-05-02 Thread Hough, Mike
Dear CCP4bbers, I would like to analyse the out of plane distortions in a heme protein structure using the normal-coordinate structural decomposition (NSD) method. This would be a way to assess e.g. ruffling and saddling distortions. At one point this was available via a web server at:

[ccp4bb] Post-doctoral positions in the Netherlands Cancer Institute, Amsterdam

2018-05-02 Thread Titia Sixma
Two post-doctoral positions in the Netherlands Cancer Institute Two post-doctoral positions are available in the Netherlands Cancer Institute in the group of Titia Sixma. We study mechanisms of enzyme regulation in DNA repair, using a combination of stuctural biology, biochemistry, biophysics