goAnalize!

Or, well, dont. But really, do.


goAnalize provides molecular modelling functionality to PyMOL.
From optimizing a structure to analyzing a trajectory.
See the documentarion.

Installation:

If you downloaded the binary distribution, you can install goAnalyze on Linux, with
Bash or zsh (the latter has not been tested, but it is a rather simple procedure, so I
expect it to work).

simply run the INSTALL.py file included:

python INSTALL.py

If you are building from source, you will need the Go toolchain. goAnalyze is module-aware.
You can use "go build" in each directory with Go code, or automate the process calling the
BUILD_SYSTEM.py script.

The whole goAnalize is open source. The Go parts are LGPL, the python parts
are under a more liberal license (see the source files for details, the LGPL
license is included in the repo, see the file "LICENSE"). 
This way of licensing is valid, as none of them is compiled.
against the other. I might change the current licensing if I see need.

 
TODOs:

- Mac installer.
- Additional analysis capabilities

If you'd like to contribute to the project, you are very welcome to do so.

- Please always work on the devel branch, or a feature branch, 
  and submit pull requests to that one.
- Smaller things like typos are better resolved with Github issues
  than with pull requests.
- Please be polite!



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goAnalyze makes extensive use of goChem. 

There is no publication on goChem yet. If you use one goAnalyze,
or any program based on goChem before such a publication is available,
we ask you to support goChem by citing the library in your publication as:

Domínguez, C., Jiménez, V, Savasci, G., Pesonen, J., Mera-Adasme, R.
"goChem: A library for computational 
chemistry". https://www.gochem.org
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Note: The developers of goChem and goAnalize are not associated
with PyMOL in any way.