On Thu, 6 Feb 2003, Chris wrote:
A couple of quick questions for anyone running Pymol and Autodock.
1. Doing Get dockings in autodock writes out a PDB formatted file, and uses
the ` MODEL ' and ` ENDMDL ' records to denote the different dockings is
there anyway to get pymol to read these as
SD is a file format for small molecule ligands based around the MDL MOL file
(CTAB core).
http://www.mdli.com/downloads/literature/ctfile.pdf
Advantages:
simplicity
easy to parse
supported by most cheminformatics packages
captures valence, stereochem, charge
