2
votes
4answers
75 views
3D Co-ordinates OpenBabel, OpenEyeChem(OMEGA) differ
I am sorry there was already a question earlier on this, but I did not get what I wanted, hence I am asking as another question. Please answer.
Do OpenBabel, OpenEyeChem generate …
1
vote
4answers
87 views
3D coordinates best options: CDK, RDKit, OpenBabel… anything else?
Which cheminformatics library is the best to assign 3D coordinates to a structure file, RDKit or CDK? (best quality of the results) I'm looking for a free equivalent for CORINA.
h …
0
votes
3answers
74 views
Is Balloon a “free” equivalent for CORINA?
"Balloon creates 3D atomic coordinates from molecular connectivity via distance geometry and confomer ensembles using a multi-objective genetic algorithm. The input can be SMILES, …
