How can I convert my own database into a ligand library?

VFLP VFLP 1
#1

I have prepared a database of 700,000 compounds myself and I can convert it to smi, mol2 or sdf format using openbabel. But then how can I use VSLP to convert these formats into a format accepted by VSVS? Because VSVS databases are packaged according to certain rules, I am not sure how to use VSLP to go through this process.

#2

I need to convert my own database as well. Any help please?

#3

Hi Aziz and welcome to the forum,

For library conversion, one should use our dedicated module Virtual Flow for Ligand Preparation(VFLP).. You can consult the documentation directly, by clicking the link above.

Best,

Sorin

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