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 2D or 3D more extensible than PDB (arbitrary tags) Disadvantages: 999 atom limit (only useful for small molecules!) no standard conventions for storing of atom names or types. fixed field lengths Cheers, Warren -- mailto:war...@sunesis.com Warren L. DeLano, Ph.D. Informatics Manager Sunesis Pharmaceuticals, Inc. 341 Oyster Point Blvd. S. San Francisco, CA 94080 (650)-266-3606 FAX:(650)-266-3501 > -----Original Message----- > From: Alan Wilter Sousa da Silva [mailto:a...@biof.ufrj.br] > Sent: Thursday, February 06, 2003 7:41 AM > To: DeLano, Warren > Cc: Chris; PyMOL-users > Subject: Re: [PyMOL] Pymol and Autodock > > > > On Thu, 6 Feb 2003, Warren L. DeLano wrote: > > > Read-in performace would be better if you could convert your > > multiligand PDB file to an SD file. > > Sorry, what's SD? > > TIA, > Cheers, > > ----------------------- > Alan Wilter S. da Silva > ----------------------- > Laboratório de Física Biológica > Instituto de Biofísica Carlos Chagas Filho > Universidade do Brasil/UFRJ > Rio de Janeiro, Brasil > >
