Why Bother with SXGRAPHSXGRAPH is a Graphical User Interface for the editing of Shelx INS and RES files; and controlling/tweaking the refinement without having to know the individual Shelx instructions. In the following screen dump, SXGRAPH is adding the hydrogen HFIX commands for aromatic Carbons (though also gives the Shelx commands as subsidery information). SXGRAPH can also peform functions such as assembling of residues, and importing in existing structures or fragments, trim down the fragements and pass them on to DIRDIF for fragment searching.
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Tutorial Runthroughs
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