Column of SMILES ==> Output Structures in MarvinView??

User b85e2e3247

24-05-2011 15:46:37

Sorry that I could not find this in previous posts,

But how does one convert a column of SMILES in excel to a file of structures? 2D or 3D? If this can only be converted to 2D that is fine but I'm sure there's a way to do this. (molconvert perhaps?)

Any suggestions help,



ChemAxon bd13b5bd77

24-05-2011 18:24:36

Dear Graham,

please try to use export to file feature. And you can open the list in Marvin View.

The output file format can be SDF, smiles, mrv.

Detailed steps:

1. Type structures in column A row by row in smiles format.

2. Select them.

3. Run Convert smiles to structure functionality.

4. Export the smiles to SDF, mrv, ...

optionally you can apply jxfunction (2D, 3D clean on structure to adjust the co-ordinates as you8 know smiles do not have htem.



User b85e2e3247

01-06-2011 22:26:29

Thank you for the advice, this works well.