LigandScout provides the possibility to directly import PDB data from web sources
specified in the
Preferences/PDB & Proxy Settings
.
Just type a valid PDB code into the
PDB 4-letter code
field in the control panel of the Structure-Based Modeling Perspective. If the data is available
in either the Local Repository or Shared Repository
(
Local and Shared Repository
)
then it is loaded immediately and the button will be labeled
Renew 'PDB code'
. If the PDB complex was not found in the
repositories the button will be labeled
Download 'PDB code'
. Anyway, by
clicking the button the PDB complex is loaded from the web source, automatically interpreted,
stored in the Local Repository, and displayed in LigandScout.
LigandScout connects to the PDB servers listed in
Preferences/PDB & Proxy Settings
according to their appearance. The listing of the
servers from top to bottom is the order in which the servers are
contacted until a valid PDB structure is found and downloaded
correctly or all listed servers were contacted. After a
successful download LigandScout activates the PDB interpretation
algorithm, shows the complex in the
Macromolecule View
,
and stores a copy in the Local Repository automatically for faster access
if this code should be entered again sometime later. Please see
Local and Shared Repository
for detailed information.
If you experience problems connecting to the PDB server(s),
please see the
PDB & Proxy Settings
in the Preferences/Program & Network Settings for more information.