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== Charges == '''v1.0.14.1.27''' (27.1.2013) * Changed how the total charge is handles when using the cutoff method - for each atom, the total charge is weighted by the <amount of atoms in radius>/<total number of atoms>. '''v1.13.6.26''' (26.6.2013) * Bug fix: Pearson coefficient wasn't squared. '''v1.13.5.26''' (26.5.2013) * Support for the PQR file format. * Reference charges can now be also loaded from Mol2 and PQR files (i.e. load a PDB file and use Mol2 or PQR file to load ref. charges). '''v1.13.5.23''' (23.5.2013) * Comparison of "aggregate charges". '''v1.13.5.19''' (19.5.2013) * Grouping of atoms into residues and other "sub-structures" and computing charges on these. * Computation of "aggregate charges". * 3D visualization.
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