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This is a simple script to deal with rmsd vs. score plots in pymol
Written By Matt O'Meara and Grant Murphy


if it works or doesn't, let me know ;-)
mattjomeara@gmail.com


Features:

1) Quickly load and look at structures generated by high through-put design runs
2) Basic data graph sized to the data.
3) Can graph any two varable data not just RMSD vs score
4) Extendible to do clustering other data visualization?




TO USE:

Following a design run,

$./rmsd_score_plotter_generater.pl list_of_pdb_which_include_full_paths.txt
$sudo pymol
click 'Install Plugin..." from the plugin menu
locate 'rmsd_score_plotter.py' in this directory
restart pymol
$pymol
click RMSD Score Plotter from the plugin menu
locate list_of_pdb_which_include_full_paths.txt

single click a point to get basic information about the structure
double click the point to load the structure into pymol


Notes,

To generate the input file by other means, the file should be in this format:

Filename    	   score, rms
/path/to/first.pdb -1000, .01
/path/to/second.pdb -10, 1.0
...


Note:
The first line in the file should be the headers ( which are not read in )
the separators need to be just a single space!



