View source for ProBiS H2O

==  Usage == 

Plugin is composed of three respective tabs:


==== Define System Tab ==== 

Default workflow proceeds in following steps (all the data manipulation is performed in /Probis_H2O/ working directory
that was configured using SETUP DB button):

[[File: Define_system_tab.PNG|390 px]]


# User inputs a desired PDB ID as examined system
# User presses “Find” button to display identified structures in cluster
# User downloads all relevant structures by pressing “Download” button (this step is in parentheses because this step is optional if the user already analysed a particular protein cluster and has the structures already downloaded. If it is a first time experiment, the “Download” button downloads the set from the PDB website)
# User identifies binding sites or chains of the examined system (1.)
# User selects desired binding site or chain from a list
# User proceeds with conserved water identification by pressing GO button


==== Cluster Analysis Tab ==== 

After the calculation is finished ProBiS H2O switches to the cluster analysis tab and displays the results

[[File: Cluster_analysis_tab.PNG|390 px]]

# User displays the studied system in PyMOL display window by clicking “fetch/reset” button. This button can be used for resetting the display for alternative clustering representation
# User selects the cluster from calculated clusters window
# User displays the relevant cluster with display button

[[File: Feature 4duh.PNG|500 px]]

==== About/Help Tab ==== 

The users can get reference information on the About/Help tab.