I would be interested in some literature that discusses the energetics of hbonds to sulfur. In proteins, at least (amino acids cysteine and methionine) my understanding is that these sulfur atoms behave very much like carbon (with the obvious exceptions of disulfide bonding, and metal caging), regarding their noncovalent interactions. Thanks,
Eric At 6/20/14, Victor Rosas Garcia wrote: >Hello everybody, > >Is there some way to include sulfur atoms when using the "calculate >hbonds" command? > >I can use "connect 2.5 3.7 (oxygen)(sulfur) hbond" but then the >resulting bonds do not take into account the O-H...S angle. > >Any ideas? > >Have a nice day > >Victor /* - - - - - - - - - - - - - - - - - - - - - - - - - - - Eric Martz, Professor Emeritus, Dept Microbiology U Mass, Amherst -- http://Martz.MolviZ.Org Top Five 3D MolVis Technologies http://Top5.MolviZ.Org FirstGlance: 3D Views in Nature - http://firstglance.jmol.org 3D Protein Wiki with Scene-Authoring Tools http://Proteopedia.Org Biochem 3D Education Resources http://MolviZ.org ConSurf - Find Conserved Patches in Proteins: http://consurf.tau.ac.il Atlas of Macromolecules: http://atlas.molviz.org Interactive Molecules in Public Spaces http://MolecularPlayground.Org Workshops: http://workshops.molviz.org - - - - - - - - - - - - - - - - - - - - - - - - - - - */ ------------------------------------------------------------------------------ HPCC Systems Open Source Big Data Platform from LexisNexis Risk Solutions Find What Matters Most in Your Big Data with HPCC Systems Open Source. Fast. Scalable. Simple. Ideal for Dirty Data. Leverages Graph Analysis for Fast Processing & Easy Data Exploration http://p.sf.net/sfu/hpccsystems _______________________________________________ Jmol-users mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-users
