The Technical Analysis of Visual Software ShelXle for Refinement of Small Molecular Crystal Structure
Being the professional visual software for the refinement of small molecular crystal structure, ShelXle has a large number of users among college groups. Due to the lack of literature reports on the using and research of ShelXle at home and abroad nowadays, many teachers and students were puzzled on how to deal with the problems encountered in the process of refinement using ShelXle. In this paper, the development backgrounds, the basic and special functions and the using method of ShelXle are presented in detail. Combined with several cases and compared with other visual software, its technical superiorities in the refinement of small molecular crystal structures were analyzed, and some suggestions about enhancing its refinement effect were also illustrated.
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维普
