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- RDKit download | SourceForge. net
Additionally, the RDKit distribution includes a PostgreSQL-based cartridge that allows molecules to be stored in relational database and retrieved via substructure and similarity searches
- Converting SMILES to chemical name or IUPAC name using rdkit or other . . .
Is there a way to convert SMILES to either chemical name or IUPAC name using RDKit or other python modules? I couldn't find something very helpful in other posts Thank you very much!
- rdkit: how to draw high resolution chemical structure
I am using jupyter lab to draw chemical structures But the output image resolution is too low How can I improve it? from rdkit import Chem from rdkit Chem import Draw smiles = 'C1=CC(=C(C=C1C2=C
- rdkit: How to show moleculars atoms number indexes
Hello1 I was trying to use rdkit pack to finish the work of displaying the molecular's atom numbers indexes in Jupyter Notebook , quot;import IPython core interactiveshell quot; and quot;import
- RDKit atom mapping - Stack Overflow
RDKit atom mapping Asked 1 year, 7 months ago Modified 1 year, 7 months ago Viewed 610 times
- RDKit Wiki Home - SourceForge
Additionally, the RDKit distribution includes a PostgreSQL-based cartridge that allows molecules to be stored in relational database and retrieved via substructure and similarity searches
- How to install a package rdkit from Conda with pip?
Which is the best way to install rdkit? I tried to install by the command conda install -c conda-forge rdkit or conda install -c rdkit rdkit but it showed conflict in a new conda environment with python=3 7 I also try to install by pip (pip install rdkit), but when I imported in python, it said "ModuleNotFoundError: No module named 'rdkit'"
- How to save RDKit conformer object into a sdf file?
I generated a bunch of conformers for a molecule For each conformed, I want to save the coordinates in a SDF file I tried the following, but the coordinates in the sdf file is different from that
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