Model2SAS: software for small-angle scattering data calculation from custom shapes

Li, Mu; Yin, Panchao

doi:10.1107/S1600576722003600

Model2SAS: software for small-angle scattering data calculation from custom shapes

Journal Article · 01 June 2022 · J. Appl. Crystallogr.

DOI:https://doi.org/10.1107/S1600576722003600· OSTI ID:1901203

Li, Mu; Yin, Panchao

Research Organization:: Argonne National Lab. (ANL), Argonne, IL (United States). Advanced Photon Source (APS)

Sponsoring Organization:: DOE - Office Of Science; FOREIGN

OSTI ID:: 1901203

Journal Information:: J. Appl. Crystallogr., Vol. 55, Issue (3)

Country of Publication:: United States

Language:: ENGLISH

References (29)

Hydroxylated nanoballs: synthesis, crystal structure, solubility and crystallization on surfaces Abourahma, Heba; Coleman, Anthony W.; Moulton, Brian Chemical Communications, Issue 22 https://doi.org/10.1039/b106592k	journal	October 2001
SASfit : a tool for small-angle scattering data analysis using a library of analytical expressions Breßler, Ingo; Kohlbrecher, Joachim; Thünemann, Andreas F. Journal of Applied Crystallography, Vol. 48, Issue 5 https://doi.org/10.1107/S1600576715016544	journal	September 2015
Porous Metal−Organic Polyhedra: 25 Å Cuboctahedron Constructed from 12 Cu₂(CO₂)₄ Paddle-Wheel Building Blocks Eddaoudi, M.; Kim, Jaheon; Wachter, J. B. Journal of the American Chemical Society, Vol. 123, Issue 18, p. 4368-4369 https://doi.org/10.1021/ja0104352	journal	May 2001
Structure Analysis by Small-Angle X-Ray and Neutron Scattering Feigin, L. A.; Svergun, D. I. https://doi.org/10.1007/978-1-4757-6624-0	book	January 1987
Pepsi-SAXS : an adaptive method for rapid and accurate computation of small-angle X-ray scattering profiles Grudinin, Sergei; Garkavenko, Maria; Kazennov, Andrei Acta Crystallographica Section D Structural Biology, Vol. 73, Issue 5 https://doi.org/10.1107/S2059798317005745	journal	April 2017
Small-angle X-ray and neutron scattering Jeffries, Cy M.; Ilavsky, Jan; Martel, Anne Nature Reviews Methods Primers, Vol. 1, Issue 1 https://doi.org/10.1038/s43586-021-00064-9	journal	October 2021
Development of a High-Flux- and High-Temperature-Set-Up Bonse–Hart Ultra-Small-Angle X-ray Scattering (USAXS) Diffractometer Koga, T.; Hart, M.; Hashimoto, T. Journal of Applied Crystallography, Vol. 29, Issue 4 https://doi.org/10.1107/S0021889895016669	journal	August 1996
Confinement Effect on the Surface of a Metal–Organic Polyhedron: Tunable Thermoresponsiveness and Water Permeability Lai, Yuyan; Li, Mu; Zhang, Mingxin Macromolecules, Vol. 53, Issue 16 https://doi.org/10.1021/acs.macromol.0c00295	journal	August 2020
Solvated and Deformed Hairy Metal–Organic Polyhedron Li, Mu; Zhang, Mingxin; Lai, Yuyan The Journal of Physical Chemistry C, Vol. 124, Issue 28 https://doi.org/10.1021/acs.jpcc.0c05544	journal	June 2020
Small Angle X-ray Scattering for Nanoparticle Research Li, Tao; Senesi, Andrew J.; Lee, Byeongdu Chemical Reviews, Vol. 116, Issue 18 https://doi.org/10.1021/acs.chemrev.5b00690	journal	April 2016
The Small Angle Scattering ToolBox ( SASTBX ): an open-source software for biomolecular small-angle scattering Liu, Haiguang; Hexemer, Alexander; Zwart, Peter H. Journal of Applied Crystallography, Vol. 45, Issue 3 https://doi.org/10.1107/S0021889812015786	journal	May 2012
Quantitative 3D determination of self-assembled structures on nanoparticles using small angle neutron scattering Luo, Zhi; Marson, Domenico; Ong, Quy K. Nature Communications, Vol. 9, Issue 1 https://doi.org/10.1038/s41467-018-03699-7	journal	April 2018
Structural and immunologic characterization of bovine, horse, and rabbit serum albumins Majorek, Karolina A.; Porebski, Przemyslaw J.; Dayal, Arjun Molecular Immunology, Vol. 52, Issue 3-4 https://doi.org/10.1016/j.molimm.2012.05.011	journal	October 2012
Structural characterization of proteins and complexes using small-angle X-ray solution scattering Mertens, Haydyn D. T.; Svergun, Dmitri I. Journal of Structural Biology, Vol. 172, Issue 1 https://doi.org/10.1016/j.jsb.2010.06.012	journal	October 2010
Fast, Minimum Storage Ray-Triangle Intersection Möller, Tomas; Trumbore, Ben Journal of Graphics Tools, Vol. 2, Issue 1 https://doi.org/10.1080/10867651.1997.10487468	journal	January 1997
MPBuilder: A PyMOL Plugin for Building and Refinement of Solubilized Membrane Proteins Against Small Angle X-ray Scattering Data Molodenskiy, D. S.; Svergun, D. I.; Mertens, H. D. T. Journal of Molecular Biology, Vol. 433, Issue 11 https://doi.org/10.1016/j.jmb.2021.166888	journal	May 2021
Molecular growth from a Mo176 to a Mo248 cluster Müller, A.; Shah, Syed Q. N.; Bögge, H. Nature, Vol. 397, Issue 6714 https://doi.org/10.1038/16215	journal	January 1999
Small-angle X-ray scattering to determine solution speciation of metal-oxo clusters Nyman, May Coordination Chemistry Reviews, Vol. 352 https://doi.org/10.1016/j.ccr.2016.11.014	journal	December 2017
Self-assembly of nanoscale cuboctahedra by coordination chemistry Olenyuk, Bogdan; Whiteford, Jeffery A.; Fechtenkötter, Andreas Nature, Vol. 398, Issue 6730, p. 796-799 https://doi.org/10.1038/19740	journal	April 1999
High pressure cell for small- and wide-angle x-ray scattering Pressl, K.; Kriechbaum, M.; Steinhart, M. Review of Scientific Instruments, Vol. 68, Issue 12 https://doi.org/10.1063/1.1148436	journal	December 1997
Topological Self-Assembly of Highly Symmetric Lanthanide Clusters: A Magnetic Study of Exchange-Coupling “Fingerprints” in Giant Gadolinium(III) Cages Qin, Lei; Zhou, Guo-Jun; Yu, You-Zhu Journal of the American Chemical Society, Vol. 139, Issue 45 https://doi.org/10.1021/jacs.7b09996	journal	November 2017
Accurate SAXS Profile Computation and its Assessment by Contrast Variation Experiments Schneidman-Duhovny, Dina; Hammel, Michal; Tainer, John A. Biophysical Journal, Vol. 105, Issue 4 https://doi.org/10.1016/j.bpj.2013.07.020	journal	August 2013
FoXS, FoXSDock and MultiFoXS: Single-state and multi-state structural modeling of proteins and their complexes based on SAXS profiles Schneidman-Duhovny, Dina; Hammel, Michal; Tainer, John A. Nucleic Acids Research, Vol. 44, Issue W1 https://doi.org/10.1093/nar/gkw389	journal	May 2016
Scattering perspectives on nanostructural inhomogeneity in polymer network gels Seiffert, Sebastian Progress in Polymer Science, Vol. 66 https://doi.org/10.1016/j.progpolymsci.2016.12.011	journal	March 2017
Self-Assembled M24L48 Polyhedra and Their Sharp Structural Switch upon Subtle Ligand Variation Sun, Q. -F.; Iwasa, J.; Ogawa, D. Science, Vol. 328, Issue 5982 https://doi.org/10.1126/science.1188605	journal	April 2010
CRYSOL – a Program to Evaluate X-ray Solution Scattering of Biological Macromolecules from Atomic Coordinates Svergun, D.; Barberato, C.; Koch, M. H. J. Journal of Applied Crystallography, Vol. 28, Issue 6 https://doi.org/10.1107/S0021889895007047	journal	December 1995
Counterion Interaction and Association in Metal-Oxide Cluster Macroanionic Solutions and the Consequent Self-Assembly Yin, Panchao; Li, Dong; Liu, Tianbo Israel Journal of Chemistry, Vol. 51, Issue 2 https://doi.org/10.1002/ijch.201000079	journal	February 2011
Reduction-Triggered Self-Assembly of Nanoscale Molybdenum Oxide Molecular Clusters Yin, Panchao; Wu, Bin; Li, Tao Journal of the American Chemical Society, Vol. 138, Issue 33 https://doi.org/10.1021/jacs.6b05882	journal	August 2016
The Microscopic Structure–Property Relationship of Metal–Organic Polyhedron Nanocomposites Zhang, Mingxin; Lai, Yuyan; Li, Mu Angewandte Chemie International Edition, Vol. 58, Issue 48 https://doi.org/10.1002/anie.201909241	journal	November 2019

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