VMD-L Mailing List
From: Norman Geist (norman.geist_at_uni-greifswald.de)
Date: Mon Feb 15 2016 - 00:14:22 CST
Also, you can create a representation of only your desired atom and use Mouse->Move->Rep to move it with drag’n’drop.
Von: owner-vmd-l_at_ks.uiuc.edu [mailto:owner-vmd-l_at_ks.uiuc.edu] Im Auftrag von jing liang
Gesendet: Samstag, 13. Februar 2016 18:16
Betreff: vmd-l: moving atoms and updating distances
I need to introduce one atom in an existing molecule. I load the molecule
and then I load the "guess" coordinates of the extra atom. Then, I check out
the F (fixed) option in VMD for the molecule and only the extra atom is able to move.
After that, I try to compute the distance between the
extra atom and some existing atoms to improve the guess coordinates.
However, it seems that the distances are not updated in VMD using
this procedure. Is there a way to do this manual docking procedure in VMD?