Let me say that a package dealing with molecules that does not place hydrogens correctly is of no use professionally. I must add that I am strongly disappointed, and back to my old MM package, which places the hydrogens correctly, like the nonvolatiles. How do you start a quantum mechanical computation with hydrogens not at their due place? Cheers francesco pietra
--- Angel Herraez <[EMAIL PROTECTED]> wrote: > I am opening two new threads for Paul questions in > his last post to " > loading jmol file from open babel" > > On 29 Jan 2007 at 10:44, H. Paul Benton wrote: > > To all the other uses I have one more question to > ask > > "If a file was loaded with no Hydrogens how can I > get > > Jmol to put them on?". > > Jmol cannot add hydrogens right now. Remebre it is a > viewer, not a molecule builder. > I can recommend two programs that allow you to do > so. One is Discovery Studio Visualizer, > from Accelrys (formerly known by several names such > as WebLab Viewer, Accelrys Viewer, > DS Viewer, etc.) > The other is ChemSketch, from ACDLabs. This is > actually a 2D chemical drawing package, > but imports and exports MOL files and has a 3D > module. > > If you haven't used any of them, go for DS > Visualizer. It will open your pdb, mol, xyz etc > files, > then go to menu Tools > Hydrgens > Add and save > again. > > > > > ------------------------------------------------------------------------- > Take Surveys. Earn Cash. Influence the Future of IT > Join SourceForge.net's Techsay panel and you'll get > the chance to share your > opinions on IT & business topics through brief > surveys - and earn cash > http://www.techsay.com/default.php?page=join.php&p=sourceforge&CID=DEVDEV > _______________________________________________ > Jmol-users mailing list > Jmol-users@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/jmol-users > ____________________________________________________________________________________ Want to start your own business? Learn how on Yahoo! Small Business. http://smallbusiness.yahoo.com/r-index ------------------------------------------------------------------------- Take Surveys. Earn Cash. Influence the Future of IT Join SourceForge.net's Techsay panel and you'll get the chance to share your opinions on IT & business topics through brief surveys - and earn cash http://www.techsay.com/default.php?page=join.php&p=sourceforge&CID=DEVDEV _______________________________________________ Jmol-users mailing list Jmol-users@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/jmol-users
