optionally allow breaking macrocycle bonds with A atom types #106
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psharma-sr
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diogomart
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optionally allow breaking macrocycle bonds with A atom types (re-implements #106)
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Some macrocycles don't have a bond between two atoms of type C, but often there's a C-A bond. For example: https://www.rcsb.org/ligand/5P8 This PR allows breaking bonds between atoms of type A, including A-A bonds, with the caveat that parameters of C will be used for A atoms of broken bonds.