AutoDock Gateway for Molecular Docking Simulations in Cloud Systems - Cloud Computing with e-Science Applications - page 225

programming interface (API). The web interface and the REST API offer
access to most of the CBP functionalities, with the first one offered for users
and the second one offered for developers for integrating CBP features into
their products. Finally, the Java API offers a convenient tool for accessing the
majority of CBP features from Java applications. WS-PGRADE uses the Java
API of CBP to access the different cloud services.
The integration of WS-PGRADE and CBP aims to hide details of the cloud
infrastructure used. As shown in Figure 10.3, after the users have selected
to use a cloud infrastructure for their workflow node, all they have to do
is select an application already deployed in the cloud (or indicate that they
would like to run their own application and upload it) and select a cloud
resource for the computation, for example, Amazon EC2 or OpenNebula.
Once the workflow has been configured and submitted, execution of the
selected applications with the provided data is arranged in the background
by WS-PGRADE/gUSE and the CBP.
The integration architecture of WS-PGRADE/gUSE and CBP is shown in
Figure 10.7.
The top of Figure 10.7 represents WS-PGRADE and gUSE. Based on
WS-PGRADE, a number of customized science gateways (Proteomic, Seis-
mology, Rendering, etc.) can be created that can hide the workflow con-
cept of WS-PGRADE through a simplified user interface. WS-PGRADE

Proteomics Seismology Rendering Simulation Astrophysics

Configuration data fetch

WS-PGRADE

Workflow
portlet

Authentication
portlet

Workflow
submission

Authentication
data fetch

Job submission

WFI DCI Bridge

gUSE

Repostiory

Job
Management

REST API Java API Web Interface

...

Gromacs Blender Autodock Blast App

CloudBroker Platform

OpenStack
Adapter

Amazon EC2
Adapter

OpenNebula
Adapter

S3
Adapter

Rados
Adapter

OpenStack
S3 Adapter

Amazon
S3

OpenStack
S3

OpenStack
Cloud

Amazon
EC2

OpenNebula
Cloud

Rados S3

FIGURE 10.7
Architecture of the WS-PGRADE/gUSE and CBP integration.