Protein modeling with discovery studio

10
12.10.2010 Kisun Pokharel

description

Introduction to Discovery Studio as part of the hands on Demonstration organized at Structural Bioinformatics Laboratory, Åbo Akademi University. The tutorials are available upon request.

Transcript of Protein modeling with discovery studio

Page 1: Protein modeling with discovery studio

12.10.2010

Kisun Pokharel

Page 2: Protein modeling with discovery studio

Protocols

Graphics Window

Hierarchy view

Toolbars

Command menus

Table view

Jobs explorer

Protocols explorer

Page 3: Protein modeling with discovery studio

File menu: commands for tasks such as opening files, saving files, printing, and viewing file properties

Edit menu: Commands for tasks such as selecting, copying, pasting, and setting preferences

View menu: Commands for tasks such as changing the way objects appear in various views and for choosing which views should be shown or hidden

Chemistry menu: Commands for taksks that modifythe chemical make up of the molecules

Structure menu: commands for tasks such as adding or removing labels, calculating solvent accessibility, cleaning up geometry, adding surface charges and superimposing multiple molecules

Sequence menu: commands to manage protein sequences and protein sequence alignments

Chart menu: commands to create modify adifferent plot types Script menu: commands that run scripts for visualization, slection, structure

editing, and ligand interactions Window: Commands that allow you to control the display of open windows Help: Commands to access the Discovery studio help system and the accelerys

website.

Page 4: Protein modeling with discovery studio

Shortcuts to menu commands

Add or hide toolbars from View|Toolbars

Page 5: Protein modeling with discovery studio

Contain methods that perform quick operations on selected objects and are usually performed locally, as opposed to protocols which are always sent to the server for processing.

Tools panel can be made visible from

view|Explorers|tools

Page 6: Protein modeling with discovery studio

Advanced modeling and analysis tasks that are computed by DS server

Protocols panel can be visualized from: View|Explorers|Protocols

Page 7: Protein modeling with discovery studio

TO browse files created by discovery studio and the files in hard drive

Page 8: Protein modeling with discovery studio

For selecting atoms, amino acids or molecules

Selections can be made for 3D-view, Data table and the sequence window too.

The hierarchy panel is opened from view|Hierarchy

Page 9: Protein modeling with discovery studio

Shows data and values associated to the molecular structure

The data can be viewed, modified and sorted in the data table

Value in gray background can’t be modified

Open data table by View|Data table

Page 10: Protein modeling with discovery studio

NO WWW or printed tutorials

Built-in extensive tutorials and help system

Can be browsed from

Help|Help Topics/Getting Started/Tutorials