This protocol will save selected mapped atoms from a multi-compound ligand pharmacophore mapping into separate .msv files. The individual .msv files can be used for subsequent input for a CAESAR conformation generation, where the selected atoms are used to define fixed torsions. A query to identify cyclohexyl rings and a sample .sd file are provided.
How to use:
(1) Download the attachment and unzip it.
(2) Open Discovery Studio 2.1 client
(3) In the protocol explorer panel, right click at your
(4) Double click on the protocol to open its parameter explorer
