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Showing 1 to 2 of 2 for “"dSNAP"”.
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Statistical analysis of crystallographic data
… in the CSD. This work is centred on a program dSNAP which has been developed at the University of Glasgow. dSNAP is a program that uses statistical methods to group fragments of molecules into groups that have a similar conformation. This work is aimed at applying methods to reduce the number …
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Investigating co-crystallisation of primary amides and carboxylic acids. Comparative analysis of Benzamide, Isonicotinamide and Nicotinamide co-crystal growth with carboxylic acid.
… of Glasgow), we have identified that the dSNAP analysis is a way forward for the analysis of how co-crystals pack. The analysis highlighted the subtleties that were present in the packing motifs of the Isonicotinamide co-crystals. In particular the cis and trans orientation of the amide …