Re: [Rdkit-discuss] conda install rdkit

2020-10-11 Thread Dennis Moccia
Ling I ran into something similar installing an older version of rdkit recently, the temporary fix to get you able to install a new is adding "python=3.7" to your create statement conda create -c rdkit -n my-rdkit-env rdkit python=3.7 Or specify the version of rdkit you would like... conda cre

[Rdkit-discuss] chaining mcs and rgd properly

2020-03-26 Thread Dennis Moccia
--- AllChem.Compute2DCoords(core) for m in matches: AllChem.GenerateDepictionMatching2DStructure(m,core) Draw.MolsToGridImage(matches,molsPerRow=4,subImgSize=(200,200)) -- Dennis Moccia ___ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss