Menu ▾ ▴

Tree [r10] /
 History

HTTPS svn://
HTTPS access

File Date Author Commit
 docs 2011-03-28 psfriso [r10] adding additional material
 output_example 2011-03-28 psfriso [r10] adding additional material
 tests 2011-03-27 psfriso [r6] add pdbs
 visualize 2011-03-28 psfriso [r8] add visualizing tool
 BubFunctions.py 2011-03-27 psfriso [r1] project
 Bubbles.py 2011-03-28 psfriso [r7] new version
 Grid.py 2011-03-27 psfriso [r1] project
 README 2011-03-28 psfriso [r10] adding additional material

Read Me

########################################################
####                  BUBBLES                       ####
########################################################

This is BUBBLES readme file.

DEPENDENCIES
    To run BUBBLES you need to have numpy installed.

COMMAND LINE STRUCTURE

python Bubbles.py <MIP grid file> (<number gaussians as output>)

MIP file is mandatory
number of gaussians as output is set to 10 as default. Uses of a large
number here will give meaningless results.( 0.5-1 % of the grid size is OK)

OUTPUT
Output will be given at bubbles_out.dat