- We have marked the MSMS interface (msms.py) as 'OLD' -- that means it is there and should work but we currently prefer and support SurfaceRacer for the same task.
download the msms binary
cd /tmp/ wget http://mgltools.scripps.edu/downloads/tars/releases/MSMSRELEASE/REL2.6.1/msms_i86Linux2_2.6.1.tar.gz
Some of the msms scripts (used by biskit) require the gawk program. Make sure it is installed. See MSMS troubleshooting
Unpack into new directory:
sudo mkdir /usr/local/lib/msms cd /usr/local/lib/msms sudo tar zxvf /tmp/msms_i86Linux2_2.6.1.tar.gz
Link/Copy executables into your $PATH:
sudo ln -s /usr/local/lib/msms/msms.i86Linux188.8.131.52 /usr/local/bin/msms sudo ln -s /usr/local/lib/msms/pdb_to_xyzr* /usr/local/bin
Test Biskit interface:
cd biskit/Biskit python msms.py
Problems? See MSMS troubleshooting!
- see msms.py
- Custom configuration: