Installation of RSRef2000

 

Introduction

 

Installation instructions for local real-space refinement package, RSRef2000. Written by Chapman, Korostelev, and Bertram (2000). This is a module for CNS, version 1.0.

How to install

 

All necessary executables will be created in the following 4 steps on a Unix platform:

1.      Uncompress the .tar file:

tar xvf RSRef2000.tar

2.      In the newly formed directory find Makefile and edit it. You will need to enter the absolute paths of several directories, as well as some machine-specific compilation flags. Just follow the INSTALLATION steps in the makefile.

3.      Run the Makefile (type "make").

4.      In your .cshrc file add an environmental variable, RSdir, pointing to the current directory. For example, "setenv RSdir  /ser/c/users/RSRef2000".

5.      In your .cshrc file add “set path=(.)”.

   

If you use a “FRONT END” machine, then go to the "/front_end" subdirectory and read the README file. (A “FRONT END” machine is one where you will be running the molecular graphics package O, if different from the present machine that is called “REMOTE”. Either Unix or  Windows workstations may be used as a “FRONT END” machines.)

 

Attention: Python should be installed prior to using RSRef2000 scripts. It may be downloaded from www.python.org for most platforms.

 

 

Troubleshooting

 

(1) At the compilation or linking stage error messages appear and the executable cns_LOC.exe is not created:

 There may be a problem with installation of CNS on the machine you are using. For example, the absence of some libraries (complib, etc.) leads to an error. To figure out if this is a problem one should try installing CNS without RSRef2000 - when successful install RSRef2000.

 

MICHAEL S. CHAPMAN / ERIC BLANC / ANDREI KOROSTELEV;  Last updated 03/18/2002