Does anyone have experience quantitating packing density, e.g. atoms per unit volume?
I'm trying to do this using "isosurface solvent volume" to determine volume. I'd like to know what others have found for specific cases. I'm interested in proteins and large multi-chain protein assemblies. Calculating non-hydrogen (non-solvent) atoms per 100 "isosurface solvent volume" units (cubic Angstroms?), I get: 1 carbon atom: 3.25 Protein molecules: 5.4-6.5 I'm thinking its reasonable that molecules should have higher densities than a single atom since the single atom has van der Waals radius only, while the molecules have many covalent radii that are smaller. My goal for this is to decide whether certain large multi-chain molecular assembly models based on cryo-EM have an unreasonably low packing density. Eric ------------------------------------------------------------------------------ Want fast and easy access to all the code in your enterprise? Index and search up to 200,000 lines of code with a free copy of Black Duck Code Sight - the same software that powers the world's largest code search on Ohloh, the Black Duck Open Hub! Try it now. http://p.sf.net/sfu/bds _______________________________________________ Jmol-users mailing list Jmol-users@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/jmol-users
