Simple script to perform RESPAC calculations (including APBS) for coarse-grained protein charge distributions.
This package contains only a batch script to easily call
pdcp. The last two are written by Dr. Tsuyoshi Terakawa.
Basically, this script is also derived from a Perl version created by
UPDATE: Recently Niina-san rewrite the
pdcp part, which is faster than the
original version. Please ask him for details and download from his git
Simply add the PDB structure file to the
pdb_protein directory (“aaa.pdb” for
example), and run
aaa is the file name of the protein.
The output will be a file containing partial charges for surface residues in
protein. The file will be stored in the
There are also some tools to make it easy to convert the output into CafeMol
input format, and to plot the distribution of charges. Please see the