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3D coordinates best options: CDK, RDKit, OpenBabel… anything else?
Which cheminformatics library is the best to assign 3D coordinates to a structure file, RDKit or CDK? (best quality of the results) I'm looking for a free equivalent for CORINA.
h …
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“Ligand libraries” generation (and optimization) free tools
Smilib is available for "rapid combinatorial library enumeration in (...) SMILES notation".
http://gecco.org.chemie.uni-frankfurt.de/smilib/
But the development of GLARE ("can opt …
