[ccp4bb] site mutation evaluation

2008-12-02 Thread Hongmin Zhang
Dear All, I am trying to mutate a single amino acid in a PDB to see if the mutant disturbs ligand binding. Does anyone know any software that can do such work? Thanks a lot!

Re: [ccp4bb] site mutation evaluation

2008-12-02 Thread Hongmin Zhang
e: > Pymol > the question is, into how much trouble do you want to get ? > MD simulations ? Energy minimisation ? Then you will need to do more than > just mutate on the sreen one residue with Pymol. > > Jürgen > > On 2 Dec 2008, at 17:29, Hongmin Zhang wrote: > > Dear

Re: [ccp4bb] site mutation evaluation

2008-12-02 Thread Hongmin Zhang
valents in phenix > Jürgen > > On 2 Dec 2008, at 21:29, Hongmin Zhang wrote: > > Yes, it is better to have MD or energy minimization. Otherwise, with only > view on the screen, we can't tell if the mutated residue would disturb > ligand binding because of the side chain flexi