A short history of SHELX
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Abstract
An account is given of the development of the SHELX system of computer programs from SHELX-76 to the present day. In addition to identifying useful innovations that have come into general use through their implementation in SHELX, a critical analysis is presented of the less-successful features, missed opportunities and desirable improvements for future releases of the software. An attempt is made to understand how a program originally designed for photographic intensity data, punched cards and computers over 10000 times slower than an average modern personal computer has managed to survive for so long. SHELXL is the most widely used program for small-molecule refinement and SHELXS and SHELXD are often…
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87,273
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- 3119.63
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1Topics & keywords
Topics
Keywords
- Phaser
- Computer science
- Software
- Interface (matter)
- Software engineering
- Computational science
- Programming language
- Parallel computing
UN Sustainable Development Goals
- Industry, innovation and infrastructure
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