[gmx-users] Rotation of Biomolecules

[Christopher Tran]

VMD (http://www.ks.uiuc.edu) has neat scripts to align molecules along principal
axes.  After doing so, you can save your molecules as new .pdb files.  Try
browsing http://www.ks.uiuc.edu/Research/vmd/script_library/scripts/orient/ to
see the scripts written by Paul Grayson.


Quoting Yinghong <xieyh at hkusua.hku.hk>:

> Dear gromacs users:
> I have a group of biomolecules, which have certain angles with regard to X, Y
> and Z axis respectively. But, I don't know the exact values of the three
> angles. Now I wanna align this group of  molecules along the Z-orientation,
> as well as normal to X-Y plane. And, I just know "editconf" can make rotation
> if definite angle values are given.
> Now, my problem is how I can  realize my idea as described above, and which
> command should be used!
> Thanks in advance!
> 
> Regards
> Yinghong
>