{"title":"SHELX的大分子应用","authors":"G. Sheldrick","doi":"10.1107/97809553602060000863","DOIUrl":null,"url":null,"abstract":"The SHELX system for small-molecule crystallography dates back to the early 1970s. The current refinement program, SHELXL97, is also useful for high-resolution macromolecular refinement. SHELXC, D and E are more recent additions for experimental phasing using single-wavelength anomalous dispersion (SAD), single isomorphous replacement (SIR), combined SAD and SIR (SIRAS), multi-wavelength anomalous dispersion (MAD) and radiation-damage-induced phasing (RIP) data. They are fast and simple to use, and in favourable cases produce high-quality maps despite very weak initial phase information. \n \n \nKeywords: \n \nSHELX; \nSHELXC; \nSHELXD; \nSHELXE; \nSHELXL; \nrefinement; \nexperimental phasing; \nsubstructure solution; \ndensity modification; \nautotracing","PeriodicalId":338076,"journal":{"name":"International Tables for Crystallography","volume":"9 1","pages":"0"},"PeriodicalIF":0.0000,"publicationDate":"2012-04-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"3","resultStr":"{\"title\":\"Macromolecular applications of SHELX\",\"authors\":\"G. Sheldrick\",\"doi\":\"10.1107/97809553602060000863\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"The SHELX system for small-molecule crystallography dates back to the early 1970s. The current refinement program, SHELXL97, is also useful for high-resolution macromolecular refinement. SHELXC, D and E are more recent additions for experimental phasing using single-wavelength anomalous dispersion (SAD), single isomorphous replacement (SIR), combined SAD and SIR (SIRAS), multi-wavelength anomalous dispersion (MAD) and radiation-damage-induced phasing (RIP) data. They are fast and simple to use, and in favourable cases produce high-quality maps despite very weak initial phase information. \\n \\n \\nKeywords: \\n \\nSHELX; \\nSHELXC; \\nSHELXD; \\nSHELXE; \\nSHELXL; \\nrefinement; \\nexperimental phasing; \\nsubstructure solution; \\ndensity modification; \\nautotracing\",\"PeriodicalId\":338076,\"journal\":{\"name\":\"International Tables for Crystallography\",\"volume\":\"9 1\",\"pages\":\"0\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2012-04-14\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"3\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"International Tables for Crystallography\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.1107/97809553602060000863\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"International Tables for Crystallography","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1107/97809553602060000863","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
The SHELX system for small-molecule crystallography dates back to the early 1970s. The current refinement program, SHELXL97, is also useful for high-resolution macromolecular refinement. SHELXC, D and E are more recent additions for experimental phasing using single-wavelength anomalous dispersion (SAD), single isomorphous replacement (SIR), combined SAD and SIR (SIRAS), multi-wavelength anomalous dispersion (MAD) and radiation-damage-induced phasing (RIP) data. They are fast and simple to use, and in favourable cases produce high-quality maps despite very weak initial phase information.
Keywords:
SHELX;
SHELXC;
SHELXD;
SHELXE;
SHELXL;
refinement;
experimental phasing;
substructure solution;
density modification;
autotracing
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