首页|DS AS:A new macromolecular substructure solution program based on the modified phase-retrieval algorithm

DS AS:A new macromolecular substructure solution program based on the modified phase-retrieval algorithm

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Considering the pivotal role of single-wavelength anomalous diffraction(SAD)in macromolecular crystallography,our objective was to introduce DSAS,a novel program designed for efficient anomalous scattering substructure determi-nation.DSAS stands out with its core components:a modified phase-retrieval algorithm and automated parameter tuning.The software boasts an intuitive graphical user interface(GUI),facilitating seamless input of essential data and real-time monitoring.Extensive testing on DSAS has involved diverse datasets,encompassing proteins,nucleic acids,and vari-ous anomalous scatters such as sulfur(S),selenium(Se),metals,and halogens.The results confirm DSAS's exceptional performance in accurately determining heavy atom positions,making it a highly effective tool in the field.

DSASsingle-wavelength anomalous diffractionautomated parameters settingsphase-retrieval algorithmsubstructure determination

付兴科、谭振希、耿直、刘茜、丁玮

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Beijing National Laboratory for Condensed Matter Physics,Institute of Physics,Chinese Academy of Sciences,Beijing 100190,China

School of Physical Sciences,University of Chinese Academy of Sciences,Beijing 100049,China

Beijing Yunlu Technology Co.,Ltd.,Beijing 100161,China

Beijing Synchrotron Radiation Facility,Institute of High Energy Physics,Chinese Academy of Sciences,Beijing 100049,China

Songshan Lake Materials Laboratory,Dongguan 523808,China

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国家自然科学基金国家自然科学基金

32371280T2350011

2024

10.1088/1674-1056/ad3c33

中国物理B(英文版)
中国物理学会和中国科学院物理研究所

中国物理B(英文版)

CSTPCDEI
影响因子：0.995
ISSN：1674-1056
年,卷(期)：2024.33(5)
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