Most important updates:
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LUNA is much faster now;
- Average speed improvement in comparison to the previous version varies from 124% to 284% among a set of 50 complexes; -
New interaction type: metal coordination;
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Improved standardization for residues at PDB files.
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Residues coordinating metals are standardized differently. For instance, an OH from TYR will be considered deprotonated in these circumstances;
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Metals and ligands are now standardized as well;
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New classes to run DOCK6;
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New classes to prepare ligands: add charges, add hydrogens, generate tautomers and stereoisomers at any pH, generate conformers, and minimize ligand structures;
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Fixed some minor bugs;