Supported Tools

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posted Jul 30, 2015, 7:14 PM by SRGICS UPLB [ updated Jul 31, 2015, 12:59 AM ]

The table below shows the supported tools. They support the Message Passing Interface (MPI) for distributed processing of large data sets and computation-intensive operations. After creating a cluster in P2C using vcluster, the p2ctools utility can be used to activate any of these tools.

Tool	Version	Description	User Groups	Usage Guide
autodock	4.2.6	http://autodock.scripps.edu/	Institute of Chemistry
dock	6.6	http://dock.compbio.ucsf.edu/	Institute of Chemistry
quantum espresso	5.1.1	http://www.quantum-espresso.org/	Institute of Mathematical Sciences and Physics
gamess	2013	http://www.msg.ameslab.gov/gamess/	Institute of Chemistry
impi	1.0		various groups
ray	2.3.1	http://denovoassembler.sourceforge.net/	Bioinformatics Group, ICS
vina	master	http://vina.scripps.edu/	Institute of Chemistry