-
Notifications
You must be signed in to change notification settings - Fork 1
mirror of https://sourceforge.net/p/frowns/code/
License
UnixJunkie/frowns
This commit does not belong to any branch on this repository, and may belong to a fork outside of the repository.
Folders and files
Name | Name | Last commit message | Last commit date | |
---|---|---|---|---|
Repository files navigation
Installation notes. Most of frowns is written in python except for two components. 1) vflib - extension for subgraph isomorphism. Smarts matching will not work without this. A pure python version will be implemented at some point. 2) pysssr - an extension which quickly finds the smallest set of smallest rings. Frowns will work quite happily without this. 3) Molecule depiction requires Numeric Python http://numpy.sourceforge.net/ QUICK INSTALL To install execute the following commands. The two step build and install process is required for installing the correct SWIG generated python code. python setup.py build python setup.py install IF ABOVE FAILS ============== pysssr requires a C++ compiler and is known to compile and work under windows and linux/macosx using gcc 3.0 or higher. vflib should compile out of the box on most platforms. If it fails, go into the extensions/vflib directory and execute python setup_swig.py build install This requires swig version 1.3.0+ See http://www.swig.org/ for information. If you see a message like ====== unable to execute swig: No such file or directory **VFLIB extension did not build correctly. Make sure that SWIG version 1.3+ is in your path error: command 'swig' failed with exit status 1 ====== Then the setup process cannot find swig. Share and enjoy! frowns is (C) 2003 Brian Kelley, Whitehead Institute for Biomedical Research
Releases
No releases published
Packages 0
No packages published