search

Molara-Lab / Molara

Molara is a Python package for the visualization of chemical structures such as molecules or crystals. It provides a graphical user interface for importing structures from output files of popular computational chemistry software as well as for creating custom structures.
GNU General Public License v3.0
14 stars 0 forks source link

add support for SMILES and InChIs #60

Open flrnslbch opened 1 year ago

flrnslbch commented 1 year ago

enable the generation of 3D geometries from SMILES and InChIs (e.g. using Openbabel or RDkit) to visualize

ab5424 commented 1 year ago

There is also pysmiles, which is a lot more lightweight than openbabel (and easer to install).