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Image generation problems for N-MCS
If large numbers of targets are used for N-MCS, the java process is highly likely to run out of memory when generating the image. This is because the standard 'subcanvas' size is 300x300, so with 100 molecules this is a circle with a circumference of 30,000 pixels.
Possibly a maximum limit (for number of molecules) could be worked out, or maximum dimensions for the output image. The user can now specify subCanvas dimensions on the command line with "-d WxH" for width x height, although the minimum size for readability is around 50x50.
Good idea!