Hi Tasneem, python for state in range(1, cmd.count_states() + 1): angle = cmd.get_dihedral("58/N", "58/C", "58/CA", "58/CB", state) print state, angle python end
Cheers, Thomas Tasneem Ali wrote, On 01/10/13 17:08: > Hello all, > > I have generated a movie of 300 snapshots (MD simulation trajectory). > How can i calculate dihedral angles for same four atoms across the > trajectory (or a movie)?? > I mean "get_dihedral 58/n,58/c,58/ca,58/cb "values 300 times for each > snapshot. > > Regards > Tasneem -- Thomas Holder PyMOL Developer Schrödinger Contractor ------------------------------------------------------------------------------ Master Visual Studio, SharePoint, SQL, ASP.NET, C# 2012, HTML5, CSS, MVC, Windows 8 Apps, JavaScript and much more. Keep your skills current with LearnDevNow - 3,200 step-by-step video tutorials by Microsoft MVPs and experts. ON SALE this month only -- learn more at: http://p.sf.net/sfu/learnmore_122712 _______________________________________________ PyMOL-users mailing list (PyMOL-users@lists.sourceforge.net) Info Page: https://lists.sourceforge.net/lists/listinfo/pymol-users Archives: http://www.mail-archive.com/pymol-users@lists.sourceforge.net