The Schrodinger software suite may also have a module that you can use
(https://www.schrodinger.com/platform#product-list-collapse). You can
contact technical help
for advice.
Daniel
On Wed, Jun 24, 2020 at 7:54 PM Andre LB Ambrosio wrote:
> Dear Sorin, many thanks for this. Very useful.
>
>
Dear Sorin, many thanks for this. Very useful.
By probing the conformational space around the model, I meant to try and
predict how specific solvent conditions may (or may not) induce
rearrangement, both intra and intermolecule, within an oligomeric
multidomain protein compared to it in a crystall
Dear Andre,
I am not sure what you mean by conformational space around the model, but
to answer your question: short energy minimization can be done using, for
example, deep view/swiss pdb viewer. However, I think that you are most
likely looking for a short bout of molecular dynamics, in which yo
Dear colleagues,
could you please suggest a computational tool to perform energy
minimization of a crystal structure under explicit solvent conditions (i.e,
types and concentrations of ions, pH)?
I want to observe the solvent effects on the conformational space around a
starting model, all-atom,
