DelPhi

The classic program for the calculation of electrostatic potentials and electrostatic free energies.

Program binaries and documentation are provided at the Honig Lab home page:

Note: The Biskit wrapper for Delphi also requires the Reduce program, which is part of AmberTools (but can also be installed separately).

Request download link from:

http://bhapp.c2b2.columbia.edu/software/cgi-bin/software.pl?input=DelPhi

Which version? We have tested with Linux_SinglePrecision
Unpack and move to system-wide location:
```
tar xvfz DelPhi_Linux_SP_F95.tar.gz
sudo mv DelPhi*/ /usr/local/lib/delphi_sp
ln -s /usr/local/lib/delphi_sp/executable/delphi95 /usr/local/bin/delphi
```
...or any other location that is in your search $PATH. As always, you can also configure Biskit to find the program somewhere else:
Adapt biskit settings (optional):

This would only be necessary if the executable has a different name or is not in the search $PATH. Make a local copy of the exe_reduce.dat configuration file and adapt it accordingly:
```
cd /usr/lib/python2.6/site-packages/Biskit/data/defaults
cp exe_delphi.dat ~/.biskit/
```
Then edit the "bin=" line in the [BINARY] section of this file.

Test your installation:

cd biskit/Biskit/
python delphi.py

Should yield:

<....some example data ....>
---------------------------------------
Ran 2 tests in 19.821s

OK

Usage:

Configuration:

see Biskit/data/defaults/exe_delphi.dat