Search Results for "structural analysis"
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Showing 3 open source projects for "structural analysis"
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ParaSim
Parallelized calculation of molecular similarities
Diversity assessments and comparisons of large compound databases require calculating similarities of millions of compounds in an affordable time. ParaSim addresses this challenge by parallelizing the calculations according to the number of computing cores available on a single machine. It is optimized for the throughput of very large numbers of query structures against very large numbers of reference structures. As as special feature, ParaSim allows to store and and to access frequently... -
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HOPPscore is a simple application for evaluating the structural quality of theoretical or experimental protein structures. Protein are evaluated by comparing structure fragments to a reference dictionary of fragments from high resolution structures.
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HalX is a LIMS (Laboratory Information Management System). It is meant to be able to keep track of all the experimental details of any type of biochemical, molecular biology or structural biology experiment (but not all are available now...)
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