JSDraw - SDF List Viewer

Code:
<script type="text/javascript">
    var mol = " .... ";
    
    var query = new JsMol();
    query.setMolfile(mol);

    function filter(molfile, props) {
        var target = new JsMol();
        target.setMolfile(molfile);
        
        // substructure search
        if (!query.substructureMatch(target))
            return false;
            
        // full-structure search
        //if (!query.fullstructureMatch(target))
        //    return false;

        if (parseFloat(props["logP"]) < 1.9)
            return false;
            
        return true;
    }

    JSDraw2.Table.init("data/sdf4.sdf.txt", { searchable: true, highlight: mol, filter: filter }, 'a');
</script>

Display: (It's editable - double-click to edit.)



Copyright 2014, Scilligence (http://www.scilligence.com/)

License: