I did some work on MOE and saved my work as .mol2 files and now, I wish to convert them to SMILES files but am really having difficulties. I will be really glad if anyone could be of help.
Hi,
openbabel does that conversion easily:
obabel -imol2 "file.mol2" -osmi -O "file.smi"
You can use OpenBabel for your mol2 to smiles format conversion. It is available as a online version or can be downloaded as well.
Augustine Besong Arreyetta Bawak If you have very less number of inputs, you can just use this online server https://cactus.nci.nih.gov/translate/
try this server https://cactus.nci.nih.gov/translate/
Hello
You can use chemdraw 3D .
Open your file then save as (.smi) format.
very easy!
Thanks so much everyone for these wonderful answers.
Hi
You can use chemdraw 3D.
Open Babel is the best and easy software for this conversion.
Boris, we have a script that executes that using openbabel
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