MSMS

Quick instructions for installing the msms program for molecular surface calculations.

Note:: 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

from http://mgltools.scripps.edu/downloads or:
```
cd /tmp/
wget http://mgltools.scripps.edu/downloads/tars/releases/MSMSRELEASE/REL2.6.1/msms_i86Linux2_2.6.1.tar.gz
```
Note:

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.i86Linux2.2.6.1 /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!

Usage:

see msms.py

Custom configuration: