README for tools/Python directory
---------------------------------

Author: Todd Dolinsky (todd@ccb.wustl.edu)
Date: 9/12/2005

This directory contains Python wrappers for APBS.

Files:
    apbslib.i   - SWIG interface file
    apbslib.c   - SWIG generated C file
    apbslib.py  - SWIG generated Python file containing wrappers
                  for the APBS functions defined in routines.c
    _apbslib.so - Generated shared object file
                  NOTE:  This file used to be called apbslibc.so in APBS
                         0.3.2 and below.
    main.py     - Driver file for APBS code; mimics main.c
    noinput.py  - Example driver file for APBS code that does not need
                  PQR/.in input files - all input is handled at the Python
                  level
    apbs.in     - Example APBS input file for Born Ion example

To run the Python-wrapper version of APBS, make sure you have a working
version of Python installed.  By default, the wrappers are compiled during the 
initial configure process if Python is detected on the system.*  Type

python main.py <input file>       or
python noinput.py

to run APBS on an input file in Python.  The input file must be the same
format as the standard APBS input files - see documentation for formatting.

* The main configure script needs additional libraries to compile correctly,
and thus may not work on all systems.  Current status:

Linux       - Working
Mac G5      - Working
Irix/SGI    - Untested
Sun/Solaris - Untested
Mingw       - Working, but users will need to copy the resulting 
             _apbslib.so.exe to _apbslib.dll:

              cd /path/to/apbs/tools/python
              cp _apbslib.so.exe _apbslib.dll
              cp vgrid/_vgrid.so.exe vgrid/_vgrid.dll

Cygwin      - No support (by default, the directory is not compiled)


    
