VMD-L Mailing List

From: S. Jamal Rahi (sjrahi_at_MIT.EDU)
Date: Wed Jul 02 2008 - 07:30:32 CDT

To whom it may concern:

We have used VMD's mutator plugin to mutate an amino acid residue in our
protein, whose energy we minimize after the mutation, and so on.

For various reasons now we need to find out which rotamer was plugged in
before energy minimization by the vmd mutator. Unfortunately, this
information seems not be retrievable anywhere.

Can somebody tell us which rotamer it is? If there is another software
working behind the scenes, which rotamer does that software assign to
the new amino acid side chain?

Sincerely,
S. Jamal Rahi