Ligand-Based screening - Stardrop

Re: Ligand-Based screening - Stardrop

by Douglas Houston -
Number of replies: 1
Hi both,

Looks like Stardrop doesn't like the specific flavour of SDF that UFSRAT (and LIDAEUS) outputs. Pymol doesn't seem to mind though.

If you pass the file through Open Babel it will fix it:

babel -isdf file.sdf -osdf file_fixed.sdf 
Doug
Re: Ligand-Based screening - Stardrop by Abbie Guild -