From lc from bluehaze.com.au Mon Mar 2 18:37:16 2009 From: lc from bluehaze.com.au (lc@bluehaze.com.au) Date: Mon Mar 2 18:37:33 2009 Subject: [Protein-crystallography] New bilingual English/Spanish beginners crystallographic teaching website Message-ID: New bilingual English/Spanish beginners crystallographic teaching website Sent on behalf of Martin Ripoll ( xmartin@iqfr.csic.es ) -------------- Cristalografia - Crystallography: A new web page to attract beginners to the fascinating world of Crystallography. Crystallography is based on fundamental and multidisciplinary concepts, from Mathematics, Physics, and Chemistry. This could explain why many Universities do not offer any courses in Crystallography, or they offer only advanced courses. Physics teachers claim that teaching Bragg's Law or to conduct diffraction experiments in the lab is too elementary. For chemists and biologists Crystallography is just an analytical technique; they are interested more in the results and less in the fundamentals or in the process of structure determination. Introductory chapters of textbooks in Solid State Physics, Materials Science, Chemistry, Biology and Mineralogy often include notions of Crystallography only. Thus, teaching Crystallography seems in general to remain an unresolved matter, especially in academic institutions, probably due to the fact that it is erroneously considered as a minor technical issue, whose application and interpretation is trivial. These new pages are aimed to attract beginners to the fascinating world of Crystallography. Different chapters present fundamental concepts illustrated with many figures and animations. Topics include structure of crystals, X-rays, symmetry and lattices, scattering and diffraction (comparing old and recent experimental developments), structural resolution, the meaning of the structural model, computing, etc., without forgetting its historical context. Moreover, these web pages are offered in both English and Spanish, with the aim to reach the Spanish speaking countries. Both versions are accessible through the address: http://www.xtal.iqfr.csic.es/Cristalografia/ -------------------------------------------------- Cristalograf?a - Crystallography: Una nueva p?gina para atraer a principiantes hacia el fascinante mundo de la Cristalograf?a. La Cristalograf?a como ciencia requiere de conceptos fundamentales de car?cter muy multidisciplinar, Matem?ticas, F?sica y Qu?mica. Y esta puede ser la raz?n por la que muchas universidades no ofrecen cursos de Cristalograf?a, o s?lo ofrecen cursos muy avanzados. Los profesores de F?sica aseguran que ense?ar la Ley de Bragg o llevar a cabo experimentos de difracci?n en los laboratorios es demasiado simplista. Y para qu?micos y bi?logos la Cristalograf?a es s?lo una t?cnica anal?tica, y en general se interesan m?s por los resultados que por las bases de la misma o por el proceso de determinaci?n estructural. Por otra parte, los libros de texto en F?sica del Estado S?lido, en Ciencia de los Materiales, Qu?mica, Biolog?a y Mineralog?a suelen incluir tan s?lo algunas nociones de Cristalograf?a. As? pues, en general la ense?anza de Cristalograf?a parece seguir siendo una cuesti?n sin resolver, especialmente en las instituciones acad?micas, probablemente debido al hecho de que err?neamente se considera como una t?cnica menor, cuya aplicaci?n e interpretaci?n es trivial. Estas nuevas p?ginas tienen como objetivo atraer a los principiantes al fascinante mundo de la Cristalograf?a. Est?n presentadas en forma de cap?tulos (ilustrados con muchas figuras y animaciones) que incluyen t?picos fundamentales tales como aspectos generales sobre estructura de los cristales, los rayos X, la simetr?a y las redes, los fen?menos de dispersi?n y difracci?n (incluyendo los desarrollos experimentales m?s recientes), la resoluci?n estructural, el significado del modelo estructural, c?lculo cristalogr?fico, etc., sin olvidar el contexto hist?rico de todo ello. Adem?s, con el objeto de hacerlas llegar m?s f?cilmente a los pa?ses de habla hispana estas p?ginas se ofrecen tambi?n en espa?ol, adem?s del ingl?s. Ambas versiones pueden encontrarse a trav?s del enlace: http://www.xtal.iqfr.csic.es/Cristalografia/ -------------------------------------------------- Lachlan M. D. Cranswick Contact outside working hours / Coordonnees en dehors des heures de travail: NEW E-mail / courriel: lachlanc *at* magma.ca Home Tel: (613) 584-4226 ; Cell/mobile: (613) 401-6254 WWW: http://lachlan.bluehaze.com.au/ P.O. Box 2057, Deep River, Ontario, Canada, K0J 1P0 From webmaster from icdd.com Thu Mar 5 13:13:01 2009 From: webmaster from icdd.com (webmaster@icdd.com) Date: Sat Mar 7 09:34:53 2009 Subject: [Protein-crystallography] 2009 ICDD Educational Training in XRF & XRD (2) Message-ID: <12370158-08db-41d9-9363-9e76abe566fc@s20g2000yqh.googlegroups.com> International Centre for Diffraction Data 12 Campus Boulevard - Newtown Square, PA 19073-3273 Telephone: 610-325-9814 - Fax: 610-325-9823 e-mail: info@icdd.com - Website: www.icdd.com For Immediate Release Release # 030409/178 Title: 2009 ICDD Educational Training in XRF & XRD Newtown Square, PA — March 4, 2009 Practical XRF & XRD Training by the Industry’s Leading Experts! Sponsored by the International Centre for Diffraction Data Live Instrumentation, Hands-on Training and Theoretical Lectures taught by a highly talented faculty offering a wide range of application experience. Practical X-ray Fluorescence Spectrometry 18-22 May 2009 Experience a unique blend of WDX & EDX topics from basic theory to practical applications along with cutting-edge equipment demonstrations (TXRF, handheld XRF, fusions, bench-top and floor units). Fundamentals of X-ray Powder Diffraction 8-12 June 2009 Discover methods to improve your analysis skills through theoretical lectures and hands-on workshops. Advanced Methods in X-ray Powder Diffraction 15-19 June 2009 Take your XRD skills to the next level with our advanced topics, including an introduction to the Rietveld Refinement Method. Specimen Preparation for X-ray Fluorescence 13-15 October 2009 Prepare and run specimens that you provide from your lab for a truly hands-on learning experience. Basic Rietveld Refinement & Indexing 19-21 October 2009 Advanced Rietveld Refinement & Indexing 22-23 October 2009 Learn the principles and techniques of Rietveld analysis through intensive hands-on data analysis training. Contact: Leah Mooney, Education Coordinator Press Release Contact: Register today at: www.icdd.com/education Helen M. McDonnell E-mail: clinics@icdd.com mcdonnell@icdd.com Tel:+ 610-325-9814 More information here: http://www.icdd.com/education/index.htm From Grzegorz.Jezierski from elopole.bot.pl Tue Mar 10 02:32:53 2009 From: Grzegorz.Jezierski from elopole.bot.pl (Grzegorz.Jezierski@elopole.bot.pl) Date: Tue Mar 10 09:06:08 2009 Subject: [Protein-crystallography] copy of Richardson's catalog X-ray tubes Message-ID: <80C1554A1CE12840A7A79633CFC1CFC8018066C6@EXCHANGE1.elopole.com.pl> Dear Sirs, My name is Grzegorz Jezierski. I am a professor at Opole University of Technology. I have been doing industrial radiology for 30 years. I am an autor of many scientific publications about radiology. I wrote a book "Radiography In Industry", Warsaw 1993. One of my hobbies is collecting Roentgen Tubes. I collect the vintage tubes(made of the glass) and the ceramic, modern one (for industrial radiography,dental/medical, diffraction type, fluorescence type, microfocus X-ray tube,miniature X-ray tube). Owing to courtesy many people and institutions I have a little collection of Roentgen Tubes. I think to make "Museum of Roentgen Tubes" future (photos enclosed). I was wondering if you could send me a copy of Richardson's catalog X-ray tubes as an exhibit in the Museum. Best Regards, Grzegorz Jezierski Ph.D. Technical University of Opole Faculty of Mechanical Engineering ul. Luboszycka 5 45-036 Opole Poland Tel. 048-77-423-57-90 Tel. mobile 0661 891 021 From Grzegorz.Jezierski from elopole.bot.pl Tue Mar 10 02:33:23 2009 From: Grzegorz.Jezierski from elopole.bot.pl (Grzegorz.Jezierski@elopole.bot.pl) Date: Tue Mar 10 09:06:15 2009 Subject: [Protein-crystallography] copy of Richardson's catalog X-ray tubes Message-ID: <80C1554A1CE12840A7A79633CFC1CFC8018066C8@EXCHANGE1.elopole.com.pl> Dear Sir, My name is Grzegorz Jezierski. I am a professor at Opole University of Technology. I have been doing industrial radiology for 30 years. I am an autor of many scientific publications about radiology. I wrote a book "Radiography In Industry", Warsaw 1993. One of my hobbies is collecting Roentgen Tubes. I collect the vintage tubes(made of the glass) and the ceramic, modern one (for industrial radiography,dental/medical, diffraction type, fluorescence type, microfocus X-ray tube,miniature X-ray tube). Owing to courtesy many people and institutions I have a little collection of Roentgen Tubes. I think to make "Museum of Roentgen Tubes" future (photos enclosed). I was wondering if you could send me a copy of Richardson's catalog X-ray tubes as an exhibit in the Museum. Best Regards, Grzegorz Jezierski Ph.D. Technical University of Opole Faculty of Mechanical Engineering ul. Luboszycka 5 45-036 Opole Poland Tel. 048-77-423-57-90 Tel. mobile 0661 891 021 From andy from molsoft.com Tue Mar 10 19:02:32 2009 From: andy from molsoft.com (Andrew Orry) Date: Wed Mar 11 08:05:13 2009 Subject: [Protein-crystallography] Meeting: Challenges in Protein Structure Prediction and Drug Design April 9th-10th 2009 Message-ID: <49B6FF98.7050304@molsoft.com> We still have some spaces available at MolSoft's (http://www.molsoft.com) ICM User Group meeting "Challenges in Protein Structure Prediction and Drug Design", to be held in La Jolla CA, on April 9th-10th 2009. A wide range of subjects in the fields of computational biology and chemistry will be addressed by an international group of researchers from academia and industry. Please see http://www.molsoft.com/meet09.html for more information including the full schedule and registration form. The meeting sessions are divided into the following topics: * Protein Structure Modeling and Analysis * Membrane Protein Modeling and Drug Design * Structure Data Visualization * Chemical Biology and Cheminformatics * Protein-Protein Docking * Structure-Based Drug Design Keynote Speakers Include: Ruben Abagyan Ph.D. (Scripps) Donovan Chin Ph.D. (Novartis) Brian Marsden Ph.D. (SGC Oxford) Eric Martin Ph.D. (Novartis) Michael Sundström Ph.D. (Novo Nordisk Foundation for Protein Research) Maxim Totrov Ph.D. (MolSoft) You do not have to be an ICM user to attend this meeting, anyone with an interest in computational biology and chemistry will find the talks interesting and rewarding. The price for the two day meeting is $99 (academics) $300 (commercial). For more information see http://www.molsoft.com/meet09.html -- Andrew Orry Ph.D. Senior Scientist MolSoft LLC 3366 North Torrey Pines Court Suite 300 La Jolla, CA 92037 U S A Phone: (858) 625-2000 (x108) Fax: (858) 625-2888 www.molsoft.com From lc from bluehaze.com.au Thu Mar 12 19:21:51 2009 From: lc from bluehaze.com.au (lc@bluehaze.com.au) Date: Thu Mar 12 19:22:05 2009 Subject: [Protein-crystallography] ACA 2009 Toronto student travel support / young scientist awards Message-ID: <975bb082-d0a5-4cad-8067-a4ce03fa5707@e38g2000yqa.googlegroups.com> American Crystallographic Association 2009 conference Toronto, Ontario, Canada: July 25 - 30, 2009 http://www.cins.ca/aca2009/ ACA 2009 Toronto student travel support / young scientist awards Thanks to support from the IUCr, there are funds available to assist young scientists and students to attend the ACA 2009 meeting in Toronto. Click on the ACA2009 Toronto Travel Grant Application. The deadline for applications is March 31. The ACA2009 Toronto Travel Grant Application form is available via the following wepage. http://www.cins.ca/aca2009/students.html --------------- Other information: Abstract submission, Registration, travel advice for delegates and families of delegates for the Annual Meeting of the American Crystallographic Association is available on the ACA2009 conference website at: http://www.cins.ca/aca2009/ Sessions Information including information on Session Focus and the current list of invited speakers: http://www.cins.ca/aca2009/agenda.html Registration information and registration form: http://www.cins.ca/aca2009/registration.html Transportation and Travel including a page giving the latest links and information for crossing the USA Border into Canada. This includes the ACA2009 Toronto Travel Grant Application form. http://www.cins.ca/aca2009/transportation.html Information on Crossing the USA Border into Canada is provided at: http://www.cins.ca/aca2009/usaborder.html ------------------ Two workshops are offered prior to the ACA meeting http://www.cins.ca/aca2009/workshops.html 1. JANA - Incommensurate Crystal Structures - Friday July 24, 2009 to Saturday July 25, 2009 Chairs: Jim Kaduk, Olivier Gourdon 2. Handling Twinning in Macromolecular Crystallography - Saturday July 25, 2009 Chairs: George Sheldrick, Garib Murshudov, Peter Zwart --------------- Optimised local Information on Toronto for visitors to the meeting via: http://www.cins.ca/aca2009/local.html and includes: Visiting Toronto for families by Tina Rose : a visitor guide to sites for both attendees and families. http://www.cins.ca/aca2009/files/toronto_for_families.pdf and Dave Smith's Toronto: a personal guide to restaurants and pubs in the area http://www.cins.ca/aca2009/files/daves_toronto.pdf Lachlan ----------------------- Lachlan M. D. Cranswick Contact outside working hours / Coordonnees en dehors des heures de travail: NEW E-mail / courriel: lachlanc *at* magma.ca Home Tel: (613) 584-4226 ; Cell/mobile: (613) 401-6254 WWW: http://lachlan.bluehaze.com.au/ P.O. Box 2057, Deep River, Ontario, Canada, K0J 1P0 From simonekosol from yahoo.de Fri Mar 13 11:34:30 2009 From: simonekosol from yahoo.de (simonekosol@yahoo.de) Date: Sat Mar 14 08:30:44 2009 Subject: [Protein-crystallography] CNS problem Message-ID: <01f82528-6044-4cad-a4ca-8d2902dd1e9c@c36g2000yqn.googlegroups.com> Hi everyone, I am currently trying to use NMR carbon shift restraints for structure calculation with CNS. Somehow I can't get the syntax of the input file right. I already looked it up in the syntax manual on the cns homepage but that didn't help much. Maybe somebody has a file I could use as a template? Or any ideas? Thankk you! Simone From Grzegorz.Jezierski from elopole.bot.pl Fri Mar 20 02:52:39 2009 From: Grzegorz.Jezierski from elopole.bot.pl (Grzegorz.Jezierski@elopole.bot.pl) Date: Sun Mar 22 15:04:01 2009 Subject: [Protein-crystallography] XRD and XRF XRay Tube Catalog Message-ID: <80C1554A1CE12840A7A79633CFC1CFC801853EE5@EXCHANGE1.elopole.com.pl> Dear Sir/Madam, I am writing to enquire about a possibility of donate XRD and XRF XRay Tube Catalog. My name is Grzegorz Jezierski. I am a professor at Opole University of Technology. I have been doing industrial radiology for 30 years. I am an autor of many scientific publications about radiology. I wrote a book "Radiography In Industry", Warsaw 1993. One of my hobbies is collecting Roentgen Tubes. I collect the vintage tubes(made of the glass) and the ceramic, modern one (for industrial radiography,dental/medical, diffraction type, fluorescence type, microfocus X-ray tube,miniature X-ray tube). Owing to courtesy many people and institutions I have a little collection of Roentgen Tubes. I think to make "Museum of Roentgen Tubes" future (photos enclosed). I was wondering if you could send me XRD and XRF XRay Tube Catalog as an exhibit in the Museum. Best Regards, Grzegorz Jezierski Ph.D. Department of Applications of Chemistry and Mechanics Opole University of Technology Luboszycka 5 45-036 Opole, Poland tel. 077 423 57 90 tel. mobile 0661 891 021 From lc from bluehaze.com.au Sun Mar 22 20:47:15 2009 From: lc from bluehaze.com.au (lc@bluehaze.com.au) Date: Sun Mar 22 20:47:28 2009 Subject: [Protein-crystallography] Toronto 2009 ACA Conference: deadline for Abstract submission Message-ID: <4c9f4248-bd5a-473a-9375-5824c04833a5@q1g2000vbn.googlegroups.com> American Crystallographic Association 2009 conference Toronto, Ontario, Canada: July 25 - 30, 2009 http://www.cins.ca/aca2009/ ----------------- Toronto 2009 ACA Conference: deadline for Abstract submission Abstracts will be accepted until March 31, 2009 with no penalty. http://www.cins.ca/aca2009/abstracts.html ----------------- ACA 2009 Toronto student travel support / young scientist awards Thanks to support from the IUCr, there are funds available to assist young scientists and students to attend the ACA 2009 meeting in Toronto. The deadline for applications is March 31. The ACA2009 Toronto Travel Grant Application form is available via the following wepage. http://www.cins.ca/aca2009/students.html --------------- Other information: Abstract submission, Registration, travel advice for delegates and families of delegates for the Annual Meeting of the American Crystallographic Association is available on the ACA2009 conference website at: http://www.cins.ca/aca2009/ Sessions Information including information on Session Focus and the current list of invited speakers: http://www.cins.ca/aca2009/agenda.html Registration information and registration form: http://www.cins.ca/aca2009/registration.html Transportation and Travel including a page giving the latest links and information for crossing the USA Border into Canada. This includes the ACA2009 Toronto Travel Grant Application form. http://www.cins.ca/aca2009/transportation.html Information on Crossing the USA Border into Canada is provided at: http://www.cins.ca/aca2009/usaborder.html ------------------ Two workshops are offered prior to the ACA meeting http://www.cins.ca/aca2009/workshops.html 1. JANA - Incommensurate Crystal Structures - Friday July 24, 2009 to Saturday July 25, 2009 Chairs: Jim Kaduk, Olivier Gourdon 2. Handling Twinning in Macromolecular Crystallography - Saturday July 25, 2009 Chairs: George Sheldrick, Garib Murshudov, Peter Zwart --------------- Optimised local Information on Toronto for visitors to the meeting via: http://www.cins.ca/aca2009/local.html and includes: Visiting Toronto for families by Tina Rose : a visitor guide to sites for both attendees and families. http://www.cins.ca/aca2009/files/toronto_for_families.pdf and Dave Smith's Toronto: a personal guide to restaurants and pubs in the area http://www.cins.ca/aca2009/files/daves_toronto.pdf Lachlan ----------------------- Lachlan M. D. Cranswick Contact outside working hours / Coordonnees en dehors des heures de travail: NEW E-mail / courriel: lachlanc *at* magma.ca Home Tel: (613) 584-4226 ; Cell/mobile: (613) 401-6254 WWW: http://lachlan.bluehaze.com.au/ P.O. Box 2057, Deep River, Ontario, Canada, K0J 1P0 From nir from rosettadesigngroup.com Wed Mar 25 11:13:09 2009 From: nir from rosettadesigngroup.com (Nir London) Date: Wed Mar 25 11:42:35 2009 Subject: [Protein-crystallography] Rosetta Academic Training Webinar Message-ID: The Rosetta Design Group is proud to present the first webinar in the Rosetta Academic Workshop Series. For the first webinar, we have selected to focus on Protein-Protein Docking based on the answers to the interest poll. We hope this will be the first in a line of helpful and inspiring webinars to kick-off our Rosetta Academic Workshop Series. What: Protein-Protein Docking When: May 4th 2009, 0800-1000 AM EST Where: Your office! Click here for more details and registration (For non html emails: http://rosettadesigngroup.com/RDGLS/index.php?sid=54479&lang=en) Pleas note: This is not a promotional webinar. Rosetta is open-source and freeware for academic and non-profit organizations and can be downloaded here from University of Washington's TechTransfer Digital Ventures. The majority of the webinar is concerned with Rosetta 2.3.0. Rosetta 3.0 is still a beta version. Hope to see you there, Nir London. Rosetta Design Group | http://rosettadesigngroup.com/ From sumudu from iastate.edu Tue Mar 24 19:30:53 2009 From: sumudu from iastate.edu (Sumudu Leelananda) Date: Fri Mar 27 10:38:24 2009 Subject: [Protein-crystallography] (no subject) Message-ID: <5330192421092821@webmail.iastate.edu> Hi I just looked at your site on the internet as I was searching for a Perl scipt to read the pdb. But the link you provided doesn't seem to work. This is it http://www.biochem.usyd.edu.au/~charlieb/tools.html Do you have a website where i can get it from? Thanks Sumudu