Smi2sdf3d
3D diverse conformers generation using rdkit
Install / Use
/learn @UnixJunkie/Smi2sdf3dREADME
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},
}
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