Re: [ccp4bb] Off-topic (somewhat): Call for papers on structure-guided kinase drug discovery

2019-11-22 Thread Isabel Uson
Dear Julie and Mathew, I feel advertisement on behalf of professional publishers is not appropriate for the bulletin board. MDPI should pay for its advertisements, rather than get them for free. (Being a for-profit firm, they should also pay for, rather than invite editing, but this is of course p

Re: [ccp4bb] Macromolecular Crystallography workshop in South America 2020

2020-02-07 Thread Isabel Uson
I would like to add my thoughts. Best wishes, Isabel 1- I appreciate Eddy Snell is raising an issue that is real and I would like to thank him for it. 2- I feel the discussion should be separated from this particular workshop in Montevideo. In the recent workshop in Shanghai I was the onl

Re: [ccp4bb] Arcimboldo BORGES standard libraries

2018-05-01 Thread Isabel Uson
Dear Jan, for some reason the ccp4 update manager will not pick our libraries if they are not included in your installation from the start. The same libraries can be downloaded directly from our web page: http://chango.ibmb.csic.es/download and then the interface lets you input a path to any custo

[ccp4bb] Shelx and debian

2019-10-08 Thread Isabel Uson
Dear Bernhard and Peter, as Tim describes, changing the grub loader fixes the problem. I have looked into the changes to eliminate system calls and provide a version that would work without changes to the system, they are relatively minor. SHELXE just needs to eliminate calls to system time, pity

[ccp4bb] ARCIMBOLDO_LITE

2014-07-31 Thread Isabel Uson
Hello, we would like to announce the release of an ARCIMBOLDO standalone version that runs on a single machine, using all its physical cores. ARCIMBOLDO_LITE is a binary that can be copied to a linux machine with access to Phaser 2.5.6 and the current SHELXE. (Alternatively the binary for MAC O

[ccp4bb] early-stage postdoc Spanish call, methods development

2015-01-15 Thread Isabel Uson
The call for early-stage PostDoc *Juan de la Cierva - Formación* 2-year contract from the Spanish Ministry of Economy and Competitiveness (BOE 5 Diciembre de 2014 Sec III pág. 100556) is now open. We seek for an early-stage postdoc to carry out a project development of computing methods in Structur

[ccp4bb] SHELXD - Limit Number of CPUs?

2022-03-18 Thread Isabel Uson
Hi Jessica, there is a flag -t, which you should give in the command line to set the number of threads. eg shelxd -t4 name Best wishes, Isabel -- ICREA Res. Prof. Isabel Usón Crystallographic Methods Department of Structural Biology (“Maria de Maeztu” 2014 Unit of Excellence), Molecular Biolo

Re: [ccp4bb] [i2dev] Alexey Vagin

2023-03-27 Thread Isabel Uson
Sad news, I have many fond memories of Alexey, starting from the tour he gave me of his BLANC suite in York back in 1997 and then his clever humor and discussions at many workshops and conferences. May his heaven have a piece of Barcelona, which he loved ("almost as good as home"). Isabel On Sun

[ccp4bb] ECA Prizes open for nomination

2024-04-17 Thread Isabel Uson
Dear Colleages, I draw to your attention the following announcement from Arie van der Lee, ECA vicepresident, as there are new, less well known additions. An education prize in the name of Lodovico da Riva Sanseverino, of whom so many of us keep fond and grateful memories for the role the Erice Cr

[ccp4bb] George Sheldrick (1942-2025)

2025-02-21 Thread Isabel Uson
Dear Colleagues, it is with a heavy heart, that we must announce the passing of George Michael Sheldrick. Everyone in crystallography knows George as a giant in the development of computing methods despite his unassuming manner. His SHELX programs for structure solution and refinement have shap

Re: [ccp4bb] George Sheldrick (1942-2025)

2025-02-24 Thread Isabel Uson
www.xtal.iqf.csic.es/Cristalografia/ > > Telf.: +34 917459550 > > Consejo Superior de Investigaciones Científicas > > Spanish National Research Council > > [image: cid:image001.jpg@01D6458C.934B9370] > > > > *De:* CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC