Thanks Thomas!


Another question-
I have my protein.pdb with some inserted crystall waters within protein interiour as well as water surrounded of my protein. I want to remove only sorrounding water but prevent internal water ( wich could be functional relevant ).

How I could to select such surrounded water ( e.g via some cutoff radius relative my protein etc) wich I'd like to remove further ?

26 апреля 2012 г. 11:22 пользователь Thomas Holder <speleo3@users.sourceforge.net> написал:
Hi James,

use the alter command:

alter chain "", chain="A"

See also http://pymolwiki.org/index.php/Alter

Cheers,
 Thomas

James Starlight wrote, On 04/26/12 09:18:

Dear PyMol users!


I have some structure.pdb from the md simulation wich consist of 1 chain not defined in the pdb file explicitly ( missing chain id in the pdb file). So the pymol recognise that chain as the  ' '  . I need to rename this chain to the desired name ( e.g to chain A ).

How I could do it?

James

--
Thomas Holder
MPI for Developmental Biology
Spemannstr. 35
D-72076 Tübingen