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
