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
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Implement click-by-click molecule builder #359

Open GereonFeldmann opened 5 months ago

GereonFeldmann commented 5 months ago

Add another way to build molecules where the atoms are added by clicking onto the atoms which should be bonded to it.

This needs predefined distances, angles and dihedrals and thus also the nearest neighbors of an atom must be known.

In addition, it would be an important feature to be able to add molecule fragments/functional groups e.g. methyl- or phenyl-groups, etc. .