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Note: Some of the information on this page is for our legacy systems only. The page is scheduled for an update to make it applicable to Graham.
AUTODOCKVINA
Description: Open source molecular modelling docking program.,
SHARCNET Package information: see AUTODOCKVINA software page in web portal
Full list of SHARCNET supported software


Introduction

Provides a manual binary installation of Autodock Vina on the sharcnet system for multicore use.

Version

module load autodockvina/1.1.2

Usage

Interactive

For development testing autodock vina can be run on the command line:

Example

vina -h

Cluster

sqsub -r 7d -q serial -o ofile%J vina --cpu 1 input-args
sqsub -r 7d -q threaded -n ncpus -o ofile%J vina --cpu ncpus input-args

Example

Coming soon ...

Graphical

Vina has no gui capability. It may however be used with MGLTOOLS https://www.sharcnet.ca/my/software/show/176

Notes

None at this time.

References

o Homepage: http://mgltools.scripps.edu/
o Manual: http://vina.scripps.edu/manual.html
o Release: http://mgltools.scripps.edu/News/
o Forum: http://vina.scripps.edu/manual.html#help