Search Results for "structural analysis spreadsheet"

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...

Helps compatibility with Vernier's Graphical Analysis and Logger Pro software. Includes a converter to extract important data out of Vernier .ga3 and .cmbl data files, and spreadsheet to analyze the data with tables, graphs, and curve fitting.

Ocular is a spreadsheet written entirely in python. Cell contents are evaluated by python after any standard spreadsheet coordinates are parsed. This allows the full Monty from Python to be implemented in a visual environment.