If you have setup a python environment, you can also download via pip:
pip install --extra-index-url https://projects.h-its.org/pypi multipipsa
If you did not yet setup a python environment, download the package on the package server and follow the descriptions in the INSTALL document.
You can also run the commandline version in a google colab as described on the PIPSA documentation page.
Changes in the version 4.0.2
- Modified pathlength to account for longer pathnames than 40 characters
- PIPSA code is now included in a python wrapper that allows to run multiple
PIPSA runs on different parts of the protein.
- Added functions to do comparative analysis of the binding properties of user-defined groups of proteins.
- Newly added python wrapper called multipipsa is available under the EUPL license conditions.
The original PIPSA code, which is part of the multipipsa package,
is available for use according to the license at "Terms and Conditions" also within the package.
Changes in the version 3.1 and 3.2 are:
- Added support for cylindrical volumes for comparison
- Fall back to default, when sphere file is empty
Changes in the version 3.0 are:
- Added the program to calculate similarity indices in spherical regions;
- Changed output that has now the values of average potential differences
as well as the average potential values in the comparison region;
- Added the program to correlate and predict kinetic constants, and
added an application example for this program;
- Added a script to remove a protein from a set of compared proteins;
- Added modified version to run the calculations in parallel;
- Changes in documentation.
Changes in the version 2.0 are:
- The programs rewritten to make the parameter usage more transparent -
previous parameter input from the files is changed to the input via
command line;
- Fixed subdirectory hierarchy is replaced via user-defined, e.g.
calculations can be done in any chosen directory;
- Only an upper part of the similarity matrix is calculated, thus the
computations for a set of n protens are done not for
n*n but n*(n+1)/2 pairs;
- Enabled a possibility to add extra proteins to already processed
set of proteins;
- Added phylogenic tree analysis;
- Added APBS electrostatic potential based analysis;
- Added several auxiliary programs.
Version 2.0 onwards was developed at HITS gGmbH, Heidelberg, Germany.
Version 1.0 was developed at EMBL, Heidelberg, Germany.
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