at 1:38 pm EDT on (Tuesday) 18 November 2003 Miguel said: > >> Uhh ... in 25 words or less ... what is a ligand? > >> > > a small molecule that binds specifically to a larger one. many pdb > > files define the ligand in the pdb header; > > How does a =B4ligand=B4 relate to a =B4HETATM=B4? > ligands are hetatm records; for details, see LIGANDS AND MODIFIED RESIDUES at <http://pdb.rutgers.edu/format-faq-v1.html>.
not all hetatm records are ligands, though - for example, solvent atoms are hetatm records but not ligand. > > I thought JMol might be able > > to read that info if it exists. > > Certainly if the info is in the header then Jmol can easily read it and > save it as a property of the molecule. > > Send me the pdbid of a sample molecule. > from the above reference url, structure file 1D2F.pdb has vitamin B6 (group PLP) bound to a Lys in chain A: <http://www.rcsb.org/pdb/cgi/explore.cgi?pdbId=1D2F> regards, :tim -- timothy driscoll molvisions - molecular graphics & visualization <http://www.molvisions.com/> usa:north carolina:wake forest ------------------------------------------------------- This SF. Net email is sponsored by: GoToMyPC GoToMyPC is the fast, easy and secure way to access your computer from any Web browser or wireless device. Click here to Try it Free! https://www.gotomypc.com/tr/OSDN/AW/Q4_2003/t/g22lp?Target=mm/g22lp.tmpl _______________________________________________ Jmol-users mailing list [EMAIL PROTECTED] https://lists.sourceforge.net/lists/listinfo/jmol-users
