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Methods, Problems and Solutions

Linux Information for Crystallography

The CCP14 Homepage is at http://www.ccp14.ac.uk

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[To: BSD UNIX Information for Crystallography] [To: Linux Information for Crystallography]
[To: Recommended Crystallographic Client Computer and Operating System]
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[Linux Overview]
[Crystallographic Applications that Run on Linux but not Dos/Windows]
[Which OS on a PC Client System - Linux, Win95/98 or WinNT?]
[Installing Linux and Win95 - Dual Booting - Standard Security and Productivity Tools]
[Linux as a High Performance Crystallographic Server - Web/FTP/Samba/Rsync]
[Linux Resources]
[Crystallographic Applications and Resource for Linux]

Linux Overview

(last update 1st May 2000)

Linux is a free UNIX operating system, but it far superior to many commercial equivalents. Many Linux distributions (e.g., Redhat) install in a relatively easy though some time may have to be spent securing the system against hackers. It also comes with a Graphical program called Linuxconf which makes setting up users, services and configuration far easier. However, as it still is a form of UNIX, there is plenty of opportunity for major amounts of time wasting getting it installed and trying to get things done with it. Though once happily setup, stability, scalability and good times are hopefully yours to be had. There are nuances when installing Linux; especially when combined with trying to get a dual boot with a Win95 Operating System. I attempt to cover these in the operating system installation tutorials.

Warning: (was advised by local department network support group to insert the following) In some organisations and departments, installing unauthorized software or operating systems such as Linux could be a sackable offence. If in doubt, check with your network support group. Also, take note that some distributions and setup options may also install software deemed to be "hacker tools". Presence of "hacker tools" on a computer system could prompt management or criminal action against "offenders".

Linux is a form of UNIX and thus has maintained the UNIX definition of "User friendiness" that Mac and Windows users can find quite shocking. (More detailed rants on this issue not included for now). However, useability (as opposed to ease of installation) can be enhanced with a good Linux Xwindows Desktop. KDE (http://www.kde.org) would have to be the best freely available Linux desktop at the moment. It is included with the Redhat and SuSE distributions (and with FreeBSD UNIX) as well as other distributions.

The benefits of Linux can make it a very robust, cost effective and stable server over "expensive" rivals such as WinNT. Though for a high performance high security server and client operating system, BSD (such as FreeBSD) should also be investigated as it has a much better reputation as a server system over Linux. FreeBSD is quite easy to install (having some features that Linux installers could benefit from); plus as a UNIX client it is also very good, robust and stable.

In the following tutorials/demonstrations/rantings, various Linux's have been installed on a a) dual boot Toshiba Tecra 520CDT and b) generic PC Desktop 300MHz Pentium. MS Win95 and FreeBSD were the other installed operating systems. At the moment, Redhat 6.x Linux seems to be the best Linux for Crystallographic computing (easiest to install and with a relatively easy way to get the Fortran G77 compiler going).

Also refer:


Crystallographic Applications that Run on Linux but not DOS/Windows

CSD database of Organic and Organometallic Crystal Structures


CRUNCH for Linux/UNIX - Structure Solution

Platon/System S - Ton Spek, Bijvoet Center - Utrecht University

Platon/System S - Ton Spek


XtalView Protein/single crystal software

ZEFSA II GPL software for solving framework structures.


Which OS on a PC Client System - Linux, FreeBSD, Win95/98 or WinNT?

Refer to Recommended Crystallographic Client Computer and Operating System


Installing Linux and Win95 - Dual Boot

Plus Standard Security and Productivity Tools (under construction)

Summary: Installing a dual-boot Win95 and Linux system involves compatible hardware, the "right" tools for partitioning, and lots of mucking around if you do not have a guide.

Secure Mandrake Linux Installation Guides and Hints

(secure installs in that these result in no open ports that hackers could get in via)

Secure Redhat Linux Installation Guides and Hints

(secure installs in that these result in no open ports that hackers could get in via)

Also refer:

Related Local Linux pages

Also Refer:


Linux as a High Performance Crystallographic Server

Web/FTP/Samba/Rsync (under construction)

Refer to BSD UNIX for Crystallography as it has a very good reputation as a secure server.

For now, refer to CCP14 Web Server Admin as the installations for SGI IRIX are near identical for Linux and BSD (though is probably nicer to install and configure for Linux and BSD).


Linux Resources

Also refer to CCP14 Security (and lots of linux) links.


Crystallographic Applications and Resource for Linux

(Hopefully Expanding)

"Everything ever written in FORTRAN, and almost anything written for any flavour of Unix should work, as long as it does not rely on platform-specific features (exotic hardware or special graphics libraries can be a problem with SGI code)."


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