The home page with license and download links is: http://www.csd.abdn.ac.uk/hex/
To install the program...
Download generic runtime and configure script:
cd /tmp wget http://www.csd.abdn.ac.uk/~dritchie/hex/dist45/hex-4e-rt.tgz wget http://www.csd.abdn.ac.uk/~dritchie/hex/dist45/hex_configure.bin
Download the executable matching your system (the static version is most generic but lacks OpenGL support):
Run the installation script:
chmod +x hex_configure.bin ./hex_configure.bin
Choose an installation path (e.g. /usr/local/lib/hex) and answer 'y' to all other questions.
Note: The installation script fails if some old$HEX_ROOT and $HEX_CACHE are set but point to a non-existing folder -- override them with an empty string, for example, 'export HEX_ROOT= ' and 'export HEX_CACHE= '
Add the following variables to your shell login script (example for bash or zsh):
export HEX_ROOT=/usr/local/lib/hex export HEX_CACHE=/home/biskit/hex_cache
And put hex into the path:
sudo ln -s /usr/local/lib/hex/bin/hex /usr/local/bin/
Test the Biskit / Hex interface:
First type 'hex' and make sure you get the fancy user interface of Hex.
Ubuntu users need to modify run_hex first, see Hex troubleshooting!
Now test the hex interface (and go for a coffee after typing the command):
cd biskit/Biskit/Dock python Docker.py
- see Biskit.Dock.Docker.py
- see Biskit.Dock.HexParser.py
- see Biskit.Dock.hexTools.py
- see scripts/Dock/multidock.py
- see scripts/Dock/hexInput.py
- see scripts/Dock/hex2complex.py
- Custom configuration:
- see biskit/external/defaults/settings_Mod.cfg (pending conversion to Executor interface)