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1 < FreeMOL Design Document
1 > FreeMOL Design Document (DRAFT ideas subject to further refinement)
2  
3   Goal:
4  
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17    freemol/man, and so forth) The FREEMOL environment variable should
18    point at this directory.
19  
20 + Compilation:
21 +
22 +  Assuming the the FREEMOL environment variable has been defined,
23 +  each package can be compiled and installed into $FREEMOL by cd'ing
24 +  to its souce directory and issuing the following sequence of commands:
25 +
26 +    ./configure
27 +    make
28 +    make install
29 +    
30 +  Followed by a
31 +
32 +    make clean
33 +
34 +  to get rid of object code, intermediate files, etc.
35 +
36   Deployment:
37  
38    A FreeMOL binary distribution would be a tar or zipped archive of
39 <  the freemol folder with executables compiled for a specific
40 <  architecture and which can be subsequently be located an relied upon
41 <  by PyMOL an other packages through the FREEMOL environment variable.
39 >  the $FREEMOL folder containing executables compiled for a specific
40 >  architecture.  
41 >
42 >  Installation would amount to extraction of the archive and setting
43 >  of the FREEMOL environment variable to that PyMOL and other packages
44 >  can subquently locate and rely upon the freemol executables.
45  
46   Pragmatic decisions:
47  
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52  
53   Confirmed FreeMOL Packages:
54  
55 <  mengine
55 >  mengine (TJ)
56 >  mpeg_encode (Warren)
57    
58   Proposed FreeMOL Packages
59  
60    apbs
41  mpeg_encode
61    python
62    rdkit
63    openbabel

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