--- trunk/README.TXT 2008/07/07 23:29:55 24 +++ trunk/README.TXT 2008/09/19 16:18:08 49 @@ -1,21 +1,25 @@ -FreeMOL Design Document (DRAFT ideas subject to further refinement) +FreeMOL Design Document (draft ideas subject to further refinement) Goal: - Aggregate a small set open-source software projects together into a - maintainable form which can support integration with PyMOL and other - interactive applications via platform-specific binary distributions. + Aggregate a managable set of open-source molecular software tools + together into a maintainable form which can support integration with + PyMOL and other interactive applications via quality-controlled + platform-specific binary distributions. Structure: - "src" top-level directory with a set of subdirectories containing - source code for the various FreeMOL packages + "src" top-level directory with distinct subdirectories containing + configure scripts and source code for the various FreeMOL packages - "freemol" top-level directory is a prototype framework for holding - executables and other required runtime files in typical "unix-like" - subdirectories: (freemol/bin, freemol/lib, freemol/share, - freemol/man, and so forth) The FREEMOL environment variable should - point at this directory. + "freemol" top-level directory is a prototype framework for a freemol + binary distribution that would contain executables and other + required runtime files in a typical "unix-/usr-like" tree: + (freemol/bin, freemol/lib, freemol/share, freemol/man, and so + forth). The FREEMOL environment variable should be set to point at + this directory. Please note that platform-specific binary + executables should not be checked into subversion into this + prototype directory tree. Compilation: @@ -39,9 +43,9 @@ the $FREEMOL folder containing executables compiled for a specific architecture. - Installation would amount to extraction of the archive and setting + Installation will amount to extraction of the archive and setting of the FREEMOL environment variable to that PyMOL and other packages - can subquently locate and rely upon the freemol executables. + can subquently locate and rely upon the freemol executables. Pragmatic decisions: @@ -52,12 +56,13 @@ Confirmed FreeMOL Packages: - mengine (TJ) - mpeg_encode (Warren) + mengine + mpeg_encode + apbs + pdb2pqr Proposed FreeMOL Packages - apbs python rdkit openbabel