The Sir Program

Autor: Burla M.C. 1-2), Caliandro R. 1), Carrozzini B. 1), Cascarano G.L. 1), Cuocci C. 1), Giacovazzo C. 1), Mallamo M., Mazzone A. 1), Polidori G. 1)

Publikováno v: XLVI MEETING OF ITALIAN CRYSTALLOGRAPHIC ASSOCIATION, Perugia, 26-27/6/2017
info:cnr-pdr/source/autori:Burla M.C. 1-2), Caliandro R. 1), Carrozzini B. 1), Cascarano G.L. 1), Cuocci C. 1), Giacovazzo C. 1), Mallamo M., Mazzone A. 1) & Polidori G. 1)/congresso_nome:XLVI MEETING OF ITALIAN CRYSTALLOGRAPHIC ASSOCIATION/congresso_luogo:Perugia/congresso_data:26-27%2F6%2F2017/anno:2017/pagina_da:/pagina_a:/intervallo_pagine

The SIR (Semi-Invariants Representation) package has been developed for solving crystal structures by a variety of matematical approaches (Direct and Patterson Methods, VLD, Direct Space Methods, Molecular Rplacement). The present release of the prog

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=cnr_________::ff78df1e2006e6c04f43b4c67065ace3
https://publications.cnr.it/doc/378284

A global approach to the phasing problem: tools in the programs EXPO2007 and IL MILIONE

Autor: Giacovazzo C.1-3, Altomare A. 1, Burla M.C. 4, Caliandro R. 1, Camalli M. 2, Cascarano G.L. 1, Carrozzini B. 1, Cuocci C. 3, De Caro L. 1, Moliterni A.G.G. 1, Polidori G. 4, Rizzi R. 1, Spagna R. 2, Siliqi D. 1

Publikováno v: 1st Meeting of the Italian and Spanish Crystallographic Associations (MISCA 2007), Copanello di Stalettì (CZ), 2007
info:cnr-pdr/source/autori:Giacovazzo C.1-3, Altomare A. 1, Burla M.C. 4, Caliandro R. 1, Camalli M. 2, Cascarano G.L. 1, Carrozzini B. 1, Cuocci C. 3, De Caro L. 1, Moliterni A.G.G. 1, Polidori G. 4, Rizzi R. 1, Spagna R. 2, Siliqi D. 1/congresso_nome:1st Meeting of the Italian and Spanish Crystallographic Associations (MISCA 2007)/congresso_luogo:Copanello di Stalettì (CZ)/congresso_data:2007/anno:2007/pagina_da:/pagina_a:/intervallo_pagine

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=dedup_wf_001::a976345857127f99e802fadf7b42e03b
http://hdl.handle.net/11391/31656

The use ofVLD(vive la difference) in the molecular-replacement approach: a pipeline

Autor: G. Comunale, Giovanni Luca Cascarano, Carmelo Giacovazzo, Annamaria Mazzone, Benedetta Carrozzini

Publikováno v: Acta crystallographica. Section D, Biological crystallography. 69 (2013): 1038–1044. doi:10.1107/S0907444913004435
info:cnr-pdr/source/autori:Carrozzini B. 1, Cascarano G.L. 1, Comunale G. 2, Giacovazzo C. 1, Mazzone A. 1/titolo:The use of VLD (vive la difference) in the molecular-replacement approach: a pipeline/doi:10.1107%2FS0907444913004435/rivista:Acta crystallographica. Section D, Biological crystallography./anno:2013/pagina_da:1038/pagina_a:1044/intervallo_pagine:1038–1044/volume:69

VLD (vive la difference) is a novel ab initio phasing approach that is able to drive random phases to the correct values. It has been applied to small, medium and protein structures provided that the data resolution was atomic. It has never been used

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::423226afd85c77ac2d5ab1a51b105cc2
https://doi.org/10.1107/s0907444913004435

Advances in thefree lunchmethod

Autor: Carmelo Giacovazzo, Rocco Caliandro, Liberato De Caro, Benedetta Carrozzini, Giovanni Luca Cascarano, Dritan Siliqi

Publikováno v: Journal of applied crystallography 40 (2007): 931–937. doi:10.1107/S0021889807034073
info:cnr-pdr/source/autori:Caliandro R. 1, Carrozzini B. 1, Cascarano G.L. 1., De Caro L. 1, Giacovazzo C. 1. and Siliqi D. 1./titolo:Advances in the free lunch method/doi:10.1107%2FS0021889807034073/rivista:Journal of applied crystallography/anno:2007/pagina_da:931/pagina_a:937/intervallo_pagine:931–937/volume:40

The most critical limit of macromolecular crystallography, the experimental data resolution, is partially `tricked' by the `free lunchmethod' (non-measured reflection extrapolation). The best electron density map available when only observed data are

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::de6a76ba15d912b03aade117a15a9713
https://doi.org/10.1107/s0021889807034073

Phasing diffuse scattering. Application of the SIR2002 algorithm to the non-crystallographic phase problem

Autor: Jinsong Wu, Henry N. Chapman, H. He, Uwe Weierstall, Carmelo Giacovazzo, L. De Caro, Stefano Marchesini, Malcolm R. Howells, Giovanni Luca Cascarano, Benedetta Carrozzini, John C. H. Spence

Publikováno v: Acta crystallographica. Section A, Foundations of crystallography 60 (2004): 331–338. doi:10.1107/S0108767304012395
info:cnr-pdr/source/autori:Carrozzini B. 1, Cascarano G.L. 1, De Caro L. 1, Giacovazzo C. 1, Marchesini S. 2, Chapman H. 2, He H. 3, Howells M. 3, Wu J.S. 4, Weierstall U. 4, Spence J.C.H. 4/titolo:Phasing diffuse scattering. Application of the SIR2002 algorithm to the non-crystallographic phase problem/doi:10.1107%2FS0108767304012395/rivista:Acta crystallographica. Section A, Foundations of crystallography/anno:2004/pagina_da:331/pagina_a:338/intervallo_pagine:331–338/volume:60

A new phasing algorithm has been used to determine the phases of diffuse elastic X-ray scattering from a non-periodic array of gold balls of 50 nm diameter. Two-dimensional real-space images, showing the charge-density distribution of the balls, have

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5bf7fb8a159c0bb1150172f1a6113dc6
https://pubmed.ncbi.nlm.nih.gov/15218213