def remove_water(m):
from rdkit.Chem.SaltRemover import SaltRemover
remover = SaltRemover(defnData="[O]")
return remover.StripMol(m)
rdkit | 蛋白质大分子去水
最新推荐文章于 2022-11-08 15:18:56 发布
def remove_water(m):
from rdkit.Chem.SaltRemover import SaltRemover
remover = SaltRemover(defnData="[O]")
return remover.StripMol(m)