CNSFACE

Installation

Prerequisites
  1. Python
  2. wxPython
  3. Crystallography and NMR System
Python 2.5 is recommended - I still have one machine running Dapper so I can test it with Python2.4, but I won't do it forever. Once all the pre-requisites are installed, get the latest version of cnsFace from sourceforge:

Download CNSFACE

Untar

tar xvzf cnsface-x.x.x-town.tar.gz

change to the newly created folder

cd cnsface-x.x.x-town

build

./setup.py build

and install as root

sudo ./setup.py install

The command to execute CNSFACE from command line is "cnsi". You should see something like this. If you have problems, check that you have Python 2.5 and wxPython 2.8. If upgrading to these or higher versions does not help, submit a bug report or let me know in some way.

IMPORTANT!!! Current status of this program is pre-alpha. Not only I can't guarantee that it is bug-free, I expect bugs. Extra functionality will be added, so if it does not handle the alternate conformers in the way hidden from user (which it will), just give me some time.

Theoretically, the whole thing is cross-platform, as it uses wxPython. However, I only test it on Ubuntu Linux, so if it does not work on your shiny overpriced silver computer adorned with half-eaten fruit logo - I am terribly sorry, but I don't own these. But I am sure interested in making it work, so with little help from you we can probably figure out what's wrong. Since CNS has command line as its normal modus operandi, using it on Windows is, at least, odd. But since the purpose of cnsFace is to fill exactly this gap (lack of gui)and if you seriously believe that microsoft products are worth your time, then by all means give it a try.