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Parallel, stochastic molecular surface area measurement on the GPU
Copyright (c) 2013 Derek Juba

This program requires CUDA and GSL.  To compile, edit the Makefile to point to the locations where CUDA and GSL are installed, and run make.

This program takes xyzr files as input.  pdb files can be converted to xyzr files with the program pdb_2_xyzr that comes with MSMS, which can be downloaded from http://mgltools.scripps.edu/downloads

Example

To find the surface of protein 1GCQ.xyzr, use
./MolecularMeasurer -if 1GCQ.xyzr -ms
Source: README.txt, updated 2013-09-11