[ccp4bb] 2nd Announcement and etc - the 5th Winter School on Soft X-rays in MX
Posted on behalf of the Organizing Committee: John Rose and Bi-Cheng Wang (University of Georgia, Athens, Georgia, U.S.A.) Manfred Weiss (Helmholtz-Zentrum Berlin für Materialien und Energie, Berlin, Germany) Christoph Mueller-Dieckmann (ESRF, Grenoble, France)2nd AnnouncementandNewAdditions to theProgramThe 5thWinter School on Soft X-Rays in Macromolecular Crystallography Location: Georgia Center,TheUniversity of Georgia, Athens, Georgia, USA 30602 Dates: March 1 - 4, 2015 Registration: Online at: http://wssxmc.bmb.uga.edu.We announced theWinterSchool on the CCP4 bulletin board on December 19, 2014. Since then,we have addeda new Session on Detector Considerations on Monday evening, March 2 (pleasesee the attached Program Outline) and updated thecourseinformation on thethreehands-on workshopson Wednesday, March 4.The aim of the School is to bring together experts and young scientists interested in using the anomalous signal from light atoms (e.g. S, P, Ca, K, Mg) for macromolecular structure determination employing soft(lambda 1.5Å) X-ray techniques.The previous four Schools were held in Europe:1st Winter School: Bressanone/Brixen, Italy; Feb. 25-27, 20032ndWinter School: Seefeld, Austria; March 22-25, 20063rdWinter School: Berlin, Germany; February 18-20, 20094thWinter School: Grenoble, France, February 6-8, 2012There will also be hands-on workshops on Wednesday March 4.Optimizing Native-SAD Data Collection - (John Rose Albert Fu) will demonstrate features thatmaybe used to optimize data quality.Getting The Most Out of Data Processing - (Albert Fu John Rose) will demonstrate data processing using XDS, Kylin and HKL2000.Experimental Phasing With SHELX C/D/E -(George Sheldrick) will demonstrate the use of the SHELX suite for experimental phasing of SAD data.Participants are encouraged to bring their laptops (Windows, Mac or Linux) so that theymaywork through the test data during the workshop. The required software and data sets will be provided via the web (directions will be provided at the Winter School) or via USB drive at the meeting.Limited travel bursaries arestillavailable to young investigators (students and postdoc) who wish to attend. You may submit your application online athttp://wssxmc.bmb.uga.edu/Travel_Bursary.htmlor contact John Rose (jpr...@uga.edu).Online registration at: http://wssxmc.bmb.uga.edu.An updated Program Outline is attached. 5th Winter School Program Outline_150204.pdf Description: Adobe PDF document
[ccp4bb] Announcement - 5th Winter School on Soft X-rays in Macromolecular Crystallography
Sent on behalf of the Organizing Committee: John Rose,Manfred Weiss, Christoph Mueller-Dieckmann and B.C. WangThe 5thWinter School on Soft X-Rays in Macromolecular Crystallography Location: Georgia Center,TheUniversity of Georgia, Athens, Georgia, USA 30602 Dates: March 1 - 4, 2015The 5th Winter School on Soft X-rays in Macromolecular Crystallography is a continuation of similar activities that have been held in Europe every three-years since 2003 as indicated below. 1st Winter School: Bressanone/Brixen, Italy; Feb. 25-27, 2003 2nd Winter School: Seefeld, Austria; March 22-25, 2006 3rd Winter School: Berlin, Germany; February 18-20, 2009 4th Winter School: Grenoble, France, February 6-8, 2012The 5th Winter Scholar will be held at the University of Georgia, Athens, Georgia, USA from March 1 to 4, 2015 (http://wssxmc.bmb.uga.edu). Applications are open to all interested researchers.Travel Awards are available for US international young scientists.Important Deadlines: February 2, 2015 - Travel Award Application Submission February 2, 2015 - Hotel Reservations at UGA Hotel Conference Center February 15, 2015 - Online Registration for the Winter School February 15, 2015 - Abstract SubmissionA tentative Course Schedule is attached. Winter School_Tentative_Schedule_141218.pdf Description: Adobe PDF document
[ccp4bb] Workshop on Soft X-ray Crystallography at the APS, May 4, 2011
We would like to call your attention to a workshop associated with the upcoming 2011 APS Users Meeting, which will be held on May 4, 2011 at the APS, Argonne National Laboratory, USA. The title of the workshop is “Soft X-ray Crystallography”. You may find the workshop program at http://2011usersmeeting.conference.anl.gov/APSWK1Agenda.htm The web links for meeting registration and the application for a permit to enter the Argonne National Laboratory are: https://2011usersmeeting.conference.anl.gov/register http://www.aps.anl.gov/Users/Site_Access We hope you will be able to attend the APS Users Meeting and our workshop. All the best, B.C. Wang, John Rose, Gerd Rosenbaum and John Chrzas.
Re: [ccp4bb] Workshop on Soft X-ray Crystallography at the APS, May 4, 2011
Dear Colleagues, Based on the note below from Gerard Bricogne, I would like to further clarify and highlight the intended purpose of the workshop for those of you who may be interested in attending. The planned discussions of the workshop will focus on the positive and useful benefits of using soft x-rays in macromolecular crystallography with wavelengths between 1.5 Å and 4.0 Å. The talks will also provide participants with an updated picture of the current developments around the globe, and include several key international speakers that are currently working in this fast growing field of study. I hope to see many of you at the APS, or possibly at the ACA meeting later in May or IUCr in August. Best regards, B.C. On Apr 22, 2011, at 12:08 PM, Gerard Bricogne wrote: Dear BC and colleagues, It is rather unclear from the title of the workshop whether it is the Crystallography that will be soft, or the X-rays. With best wishes, Gerard. -- On Fri, Apr 22, 2011 at 11:56:22AM -0400, Bi-Cheng Wang wrote: We would like to call your attention to a workshop associated with the upcoming 2011 APS Users Meeting, which will be held on May 4, 2011 at the APS, Argonne National Laboratory, USA. The title of the workshop is “Soft X-ray Crystallography”. You may find the workshop program at http://2011usersmeeting.conference.anl.gov/APSWK1Agenda.htm The web links for meeting registration and the application for a permit to enter the Argonne National Laboratory are: https://2011usersmeeting.conference.anl.gov/register http://www.aps.anl.gov/Users/Site_Access We hope you will be able to attend the APS Users Meeting and our workshop. All the best, B.C. Wang, John Rose, Gerd Rosenbaum and John Chrzas. -- === * * * Gerard Bricogne g...@globalphasing.com * * * * Global Phasing Ltd. * * Sheraton House, Castle Park Tel: +44-(0)1223-353033 * * Cambridge CB3 0AX, UK Fax: +44-(0)1223-366889 * * * ===
Re: [ccp4bb] About solvent flattening
Hi Hailiang, My original ISAS program has been incorporated in the SGXPro program suite (Fu, Rose and Wang, 2005, Acta Cryst. D61, 951) and is currently used with other phasing programs in SGXPro at SER-CAT. You may find the description on the use of SGXPro by accessing the SER-CAT website at www.ser-cat.org, then click Beamline User's Guide == Novel Structure Solution. For questions on how to access SGXPro, you may contact Zheng-Qing (Albert) Fu by clicking About SER-CAT == Staff == Albert. SGXPro is a parallel workflow engine that was designed to automatically manage communication between the different processes and build systematic searches of algorithm/program/parameter space to generate the best possible result for a given data set. There were a number of cases when we were happily surprised that this 25-year old ISAS program was actually selected as the best choice by SGXPro for phasing some new data sets. We do not have an explanation on why the ISAS program works well on these particular data sets, but we are documenting the cases closely. Albert also routinely uses the ISAS program for determining the handedness of the heavy atom (anomalous scatterer) site as it works quite well automatically. With best wishes, B.C. On Jun 2, 2010, at 3:04 PM, Hailiang Zhang wrote: Hi, I wanted to do solvent flattening for my map using Wang's method. I used CCP4-DM, and now have several questions: 1. DM seems requiring the FOM, so I generated FOM using SIGMAA by providing FP, FC and SIFFP using the following: sigmaa HKLIN in.mtz HKLOUT out-sigmaa.mtz eof title tt labin FP=FP SIGFP=SIGFP FC=FC PHIC=PHIC labout DELFWT=DELFWT FWT=FWT WCMB=WCMB symmetry $spcgrp END eof # I think the output FOM should be in range between 0 to 1; however, it produced FOM between -1 to 1 based on my in.mtz. This leads to complaints by the following DM calculation, and I am not sure whether I could avoid this. 2. My DM script is as follows: # dm HKLIN ./1KP8-NewSharpRescaleB0-sigmaa-oriB.mtz HKLOUT ./1KP8-NewSharpRescaleB0-sigmaa-oriB_dm.mtzdmtest mode - SOLV - NOHIST combine PERT scheme ALL ncycles - 1 solc 0.6 solmask - frac 0.6 - 0.4 - radius 3.0 2 ncsmask LABIN FP = FWT SIGFP = SIGFP PHIO = PHIC FOMO = WCMB LABOUT FDM=FDM PHIDM=PHIDM FOMDM=FOMDM FCDM=FCDM PHICDM=PHICDM END dmtest ## I am not sure whether there the above is ok for the purpose of a simple real-space solvent flattening using Wang's method. By the way, my map is at resolution 2.0, and I am not sure what is the best radius for this resolution. 2. Based on Wang's paper (Wang, B. C. (1985) Methods in Enzymology 115, 90-112), the solvent flattening is carried out in real space, and since my goal it simply modify my map, and I don't think I need FOM etc. So, can CCP4 (or anyother packages like Phenix, CNS, UPPSALA...,) provide a simple real-space solvent flattening without too much complications? Thanks a lot for any hints. Best Regards, Hailiang
