To install the program...
Download a pre-compiled package for your platform from http://www.molsoft.com/icm_browser.html
You can choose between rpm and a self-extracting installation script. The latter may be the better option -- at least in my case, the rpm installed ICM in a very unusual location (/usr/icm-browser... ).
Install the program
Excute the sh script or install rpm.
Mac OS-X users: unpack the zip file and move icmbrowserpro.app into /Applications
The installation doesn't seem to tolerate any other location than /usr/. Just go ahead with that and move the icm folder afterwards to, e.g.,:
sudo mv /usr/icm-browser-pro* /usr/local/lib/ cd /usr/local/bin sudo ln -s /usr/local/lib/icm-browser-pro-*/icmbrowserpro . sudo rm /usr/local/lib/icm-browser-pro
Set $MOLBROWSERPROHOME environment variable:
for example, add this line to ~/.zshenv or ~/.bashrc:
.tcshrc or .cshrc example:
setenv MOLBROWSERPROHOME /usr/local/lib/icm-browser-pro-3.5-1l
under Mac OS-X:
Optional: Configure Biskit for non-standard binary
In case your icm binary is not actually called icmbrowserpro or not in the $PATH, you need to tell Biskit about the new location:
Copy the file exe_icmbrowser.dat from biskit/external/defaults/ to ~/.biskit/.
The local copy in your home .biskit will overide the default configuration.
Change the bin= parameter to the correct binary value
You may also provide an explicit value to the MOLBROWSERPROHOME= parameter to make Biskit independent of your shell environment.
Test the icmbrowserpro / Biskit interface:
cd biskit/Biskit python IcmCad.py
Should yield something like this:
Loading PDB... Starting ICM Running Result: [8.8603529999999999, 9.0315890000000003, 8.5055429999999994]
- see IcmCad
- Custom configuration:
- see biskit/external/defaults/exe_icmbrowser.dat(described in detail above)