Deal list,
I would like to calculate partial charges of my pdb. Is it possible to do it by
Pymol? If not, Is anyone know any server
or software to do it?
I have another question too, when aligning two structure in Pymol, there is a
RMSD for the total structure, is there any command to cal
On Sun, Sep 4, 2011 at 8:37 PM, niloofar niknam
wrote:
>
>
> Deal list,
> I would like to calculate partial charges of my pdb. Is it possible to do it
In pymol:
Action-> compute -> partial charge sum
> by Pymol? If not, Is anyone know any server
> or software to do it?
> I have another questi
So.
cmd.(something) ALWAYS has to be in string format.
So there is the cmd.frame wrong.
Then you dont quit the mutagenesis wizard
And you have a space in the cmd.save
*It total, try:*
#Initialize
fetch 1shr, async=0
create test, 1shr
cmd.wizard("mutagenesis")
cmd.do("refresh_wizard")
# Mutat
Hi Troels,
> cmd.(something) ALWAYS has to be in string format.
> So there is the cmd.frame wrong.
I'm sorry but this is not true, of course you can pass an integer to
cmd.frame
> Then you dont quit the mutagenesis wizard
which is not a problem as well.
> And you have a space in the cmd.s
Hi Noloofar and Lina,
>> I would like to calculate partial charges of my pdb. Is it possible to do it
>
> In pymol:
>
> Action-> compute -> partial charge sum
this doesn't calculate partial charges, sorry.
This does:
Action -> generate -> vacuum electrostatics
But better would be to use pdb2p
