Using CCD vs covalent bond with smiles #268
kanghw0325
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I recommend checking if it tries to match reference conformer for CCD when you use CCD. |
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sorry for late reply, ccd is here. CCD: 99K i think smiles is better than CCD |
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Hello! Thank you for the great work.
I am recently working on your covalent bond system.
and I see one small issues in here.
In my opinion, using SMILES seems to yield better results than using CCD when forming covalent bonds. I’m not sure why.
Do you have any informations of this kind of issues?
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