| polycyclic molecule displaying issue [message #2332] |
Tue, 29 October 2024 10:11  |
yunforce
Messages: 11
Registered: May 2024
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Junior Member |
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I copied the same SMILES string (CC[C@@]12CCC(=O)N3CC[C@]4(C5=CC=CC=C5N[C@@H]4CC1)[C@H]32) into both DataWarrior and ChemDraw. In DataWarrior, the structure displayed had many overlapping bonds, making it difficult to discern the true structure of the molecule. However, when I pasted this SMILES into ChemDraw, it displayed a clearer structure. I wonder if this is due to an issue with the software itself or differences in the structure generation algorithms. If improvements could be made in this area, it would certainly make DataWarrior more popular.
[Updated on: Tue, 29 October 2024 10:16] Report message to a moderator |
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