scholarly journals Continuous mutual improvement of macromolecular structure models in the PDB and of X-ray crystallographic software: the dual role of deposited experimental data

2014 ◽  
Vol 70 (10) ◽  
pp. 2533-2543 ◽  
Author(s):  
Thomas C. Terwilliger ◽  
Gerard Bricogne

Accurate crystal structures of macromolecules are of high importance in the biological and biomedical fields. Models of crystal structures in the Protein Data Bank (PDB) are in general of very high quality as deposited. However, methods for obtaining the best model of a macromolecular structure from a given set of experimental X-ray data continue to progress at a rapid pace, making it possible to improve most PDB entries after their deposition by re-analyzing the original deposited data with more recent software. This possibility represents a very significant departure from the situation that prevailed when the PDB was created, when it was envisioned as a cumulative repository of static contents. A radical paradigm shift for the PDB is therefore proposed, away from the static archive model towards a much more dynamic body of continuously improving results in symbiosis with continuously improving methods and software. These simultaneous improvements in methods and final results are made possible by the current deposition of processed crystallographic data (structure-factor amplitudes) and will be supported further by the deposition of raw data (diffraction images). It is argued that it is both desirable and feasible to carry out small-scale and large-scale efforts to make this paradigm shift a reality. Small-scale efforts would focus on optimizing structures that are of interest to specific investigators. Large-scale efforts would undertake a systematic re-optimization of all of the structures in the PDB, or alternatively the redetermination of groups of structures that are either related to or focused on specific questions. All of the resulting structures should be made generally available, along with the precursor entries, with various views of the structures being made available depending on the types of questions that users are interested in answering.

1994 ◽  
Vol 143 ◽  
pp. 159-171
Author(s):  
Ester Antonucci

The coronal features observed in X-ray emission, varying from the small-scale, short-lived bright points to the large-scale, long-lived coronal holes, are closely associated with the coronal magnetic field and its topology, and their variability depends strongly on the solar cycle. Here we discuss the spatial distribution of the coronal structures, the frequency distribution of the brightness variations in active regions, and the role of magnetic reconnection in determining the variability of the coronal features, on the basis of the new observations of the soft X-ray emission recently obtained with the Yohkoh satellite and the NIXT experiment.


2019 ◽  
Vol 4 (12) ◽  
Author(s):  
C. Marchioli ◽  
H. Bhatia ◽  
G. Sardina ◽  
L. Brandt ◽  
A. Soldati

2016 ◽  
Vol 113 (17) ◽  
pp. 4688-4693 ◽  
Author(s):  
H. Clark Barrett ◽  
Alexander Bolyanatz ◽  
Alyssa N. Crittenden ◽  
Daniel M. T. Fessler ◽  
Simon Fitzpatrick ◽  
...  

Intent and mitigating circumstances play a central role in moral and legal assessments in large-scale industrialized societies. Although these features of moral assessment are widely assumed to be universal, to date, they have only been studied in a narrow range of societies. We show that there is substantial cross-cultural variation among eight traditional small-scale societies (ranging from hunter-gatherer to pastoralist to horticulturalist) and two Western societies (one urban, one rural) in the extent to which intent and mitigating circumstances influence moral judgments. Although participants in all societies took such factors into account to some degree, they did so to very different extents, varying in both the types of considerations taken into account and the types of violations to which such considerations were applied. The particular patterns of assessment characteristic of large-scale industrialized societies may thus reflect relatively recently culturally evolved norms rather than inherent features of human moral judgment.


Significance Although large-scale social protest in Bahrain has been cowed over the ten years since the ‘Arab uprisings’, small-scale demonstrations recur, reflecting a base level of discontent. Mobilising issues include economic pressures, limited political representation (especially of the Shia majority) and, most recently, ties with Israel. Impacts Despite protests, Israel’s and Bahrain’s respective ambassadors will keep up high-profile activity and statements. The authorities are likely to exaggerate the role of Iranian interference in order to deepen the Sunni-Shia divide. If Riyadh manages to extricate itself from the Yemen war, that could partly reduce the pressure on Manama.


Jurnal AKTUAL ◽  
2019 ◽  
Vol 16 (1) ◽  
pp. 47
Author(s):  
Aisah Aisah

Rice Milling Company is rice industry’s oldest and largest classified in Indonesia, which is able to absorb more than 10 million workers, handles more than 40 million tons of grain.  Rice Milling Company agro-industy is the central point, because this is where the main product is obtained in the form of rice and raw materials for advanced processing of food and industrial products.  Rice Miling Unit in the district of OKU Timur there is some skala, ranging form small-scale, medium-scale to large-scale.  Fuctional benefits of each different scale milling is also different.  The average rice farmers often sell gabahnya to the rice milling unit closest to the place residence, whether it is large-scale, medium and small.  Rice produced by the milling-grinding different quality.  Usually when a large-scale millimg yield of rice is cleaner than the other scale.  But it does not become a reference for milling grain milling usually depends on consumer demand.  The purpose of the study are : 1.  To determine levels of volume (tonnage) and the retention time of each service fuctional rice storage (barns) wich carried a different scale rice milling unit.  2.  To determine differences in the bebefits of economic transactions received by farmers and rice millers of different scale of business, especially when seen from the level of the milling costs, the purchase price of rice by rice milling unit, and the quality of milling services and service scale.  The result show that : the fuctional role of each is different milling.  Large-scale milling has three fuctional roles are : Processing, storage and distribution.  Medium-scale miling functional has two roles, namely : processing and distribution.  While small-scale rice milling unit has only two functional roles are : processing and storage.


This chapter extends the book’s insights about nature, technology, and nation to the larger history of the modern period. While the modern nation loses its grip as a locus of identity and analysis, attempts to understand the operation, disruption, and collapse of continental and global infrastructures continue to mix the natural and the machinic in ways that define them both. Those vulnerabilities emphasize large-scale catastrophe; historiographically, they mask the crucial role of small-scale failures in the experience and culture of late modernity, including its definition of nature. Historical actors turned the uneven geographical distribution of small-scale failures into a marker of distinctive local natures and an element of regional and national identity. Attending to those failures helps not only situate cold-war technologies in the larger modern history of natural and machinic orders; it helps provincialize the superpowers by casting problematic “other” natures as central and primary.


2018 ◽  
Vol 170 ◽  
pp. 08003
Author(s):  
L. Berge ◽  
N. Estre ◽  
D. Tisseur ◽  
E. Payan ◽  
D. Eck ◽  
...  

The future PLINIUS-2 platform of CEA Cadarache will be dedicated to the study of corium interactions in severe nuclear accidents, and will host innovative large-scale experiments. The Nuclear Measurement Laboratory of CEA Cadarache is in charge of real-time high-energy X-ray imaging set-ups, for the study of the corium-water and corium-sodium interaction, and of the corium stratification process. Imaging such large and high-density objects requires a 15 MeV linear electron accelerator coupled to a tungsten target creating a high-energy Bremsstrahlung X-ray flux, with corresponding dose rate about 100 Gy/min at 1 m. The signal is detected by phosphor screens coupled to high-framerate scientific CMOS cameras. The imaging set-up is established using an experimentally-validated home-made simulation software (MODHERATO). The code computes quantitative radiographic signals from the description of the source, object geometry and composition, detector, and geometrical configuration (magnification factor, etc.). It accounts for several noise sources (photonic and electronic noises, swank and readout noise), and for image blur due to the source spot-size and to the detector unsharpness. In a view to PLINIUS-2, the simulation has been improved to account for the scattered flux, which is expected to be significant. The paper presents the scattered flux calculation using the MCNP transport code, and its integration into the MODHERATO simulation. Then the validation of the improved simulation is presented, through confrontation to real measurement images taken on a small-scale equivalent set-up on the PLINIUS platform. Excellent agreement is achieved. This improved simulation is therefore being used to design the PLINIUS-2 imaging set-ups (source, detectors, cameras, etc.).


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