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SAPI : a direct‐methods program for finding heavy‐atom sites with SAD or SIR data
Author(s) -
Hao Q.,
Gu Y. X.,
Yao J. X.,
Zheng C. D.,
Fan H. F.
Publication year - 2003
Publication title -
journal of applied crystallography
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.429
H-Index - 162
ISSN - 1600-5767
DOI - 10.1107/s0021889803014031
Subject(s) - atom (system on chip) , simple (philosophy) , dispersion (optics) , wavelength , computer science , algorithm , physics , atomic physics , computational physics , optics , parallel computing , philosophy , epistemology
SAPI is a CCP4 ‐format program that applies a direct‐methods procedure to find heavy‐atom sites using single‐wavelength anomalous dispersion (SAD) or single‐isomorphous replacement (SIR) data. The program is designed to run in a fast (typical CPU time consumed is less than 1 min) and simple way. User input is kept to a minimum and the default parameter values are adequate in most cases. It can also be used to solve general small‐molecule structures.