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grdhisteq - Histogram equalization for grd files grdhisteq in _ grdfile [ -G out _ grdfile ] [ -C n _ cells ] [ -D ] [ -N [ norm ] ] [ -Q ] [ -V ] grdhisteq allows the user to find the data values which divide a given grdfile into patches of equal area. ... One could use grdhisteq to write to stdout an ASCII list of those data values which divide the range of the data into n _ cells segments, each of which has an equal area in the image. ... C Sets how many cells (or divisions) of data range to make. ...

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Development of new approaches to the analysis of ring shapes in organic molecules and the description of electronic distribution (atomic charges) and halogen bonding in the framework of forcefield model for rapid estimation of intra- and intermolecular interaction energies in molecular mechanics, molecular dynamics and docking methods . Forcefield is a model and a set of parameters for theoretical description of intra- and intermolecular interactions. ... 2016 Laboratory of Medicinal Chemistry ...

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