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FreeMOL Design Document |
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Goal: |
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Aggregate a small set open-source software projects together into a |
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maintainable form which can support integration with PyMOL and other |
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interactive applications via platform-specific binary distributions. |
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Structure: |
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"src" top-level directory with a set of subdirectories containing |
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source code for the various FreeMOL packages |
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"freemol" top-level directory is a prototype framework for holding |
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executables and other required runtime files in typical "unix-like" |
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subdirectories: (freemol/bin, freemol/lib, freemol/share, |
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freemol/man, and so forth) The FREEMOL environment variable should |
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point at this directory. |
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Deployment: |
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A FreeMOL binary distribution would be a tar or zipped archive of |
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the freemol folder with executables compiled for a specific |
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architecture and which can be subsequently be located an relied upon |
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by PyMOL an other packages through the FREEMOL environment variable. |
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Pragmatic decisions: |
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Rely upon unix-like shell-based compilation (MinGW/Cygwin on Win32) |
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Stick with standalone, command-line only packages which have few if |
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any dependencies |
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Confirmed FreeMOL Packages: |
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mengine |
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Proposed FreeMOL Packages |
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apbs |
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mpeg_encode |
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python |
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rdkit |
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openbabel |
