aspirincode / smi2sdf3d

3D diverse conformers generation using rdkit

smi2sdf3d

3D diverse conformers generation using rdkit

Algorithm and parameters come from:

@article{DBLP:journals/jcisd/EbejerMD12,
  author    = {Jean{-}Paul Ebejer and Garrett M. Morris and
               Charlotte M. Deane},
  title     = {Freely Available Conformer Generation Methods:
               How Good Are They?},
  journal   = {Journal of Chemical Information and Modeling},
  volume    = {52},
  number    = {5},
  pages     = {1146--1158},
  year      = {2012},
  url       = {https://doi.org/10.1021/ci2004658},
  doi       = {10.1021/ci2004658},
}