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IT support in the School of Chemistry

Jim Bews: Computing Officer

Derek Waddell: Technician

Jim Bews and Derek Waddell provide assistance with computers (among other duties) within the School. Although employed by the School, they liaise closely with the University's IT Services and have certain authority delegated by ITS. The School's IT Support will provide advice on, and will strictly enforce, the University's Policy and Procedures. Newcomers to IT services should consult the advice for New staff and New student accounts and download the handy PDF guides that you can find on those pages.

There are also computational chemistry staff who run the EaStCHEM Research Computing Facility.

The School has invested heavily in access to electronic books, journals, databases and software:

Books

Access to electronic books is via the Library website

Journals

Access to journals is via the Library website

Databases

Access to many databases is via the Library website or via specific software (see below).

There are also other databases such as the a Protein Databank and (funded by the EPSRC) the Chemical Database Service at Daresbury.

Access to the CDS is via online user self-registration which must be done from a computer connected to the University network.

Remote Access

There are restrictions on access based on location and/or user authentication. Some journals and databases require the user to be connected to the St Andrews University network.

This may be arranged by use of VPN software and the University webcache.

Desktop PC computers in the Student Common Room and the Purdie Library (catalogue and e-journals only); wireless broadband internet in all lecture theatres; laptops available for chemistry classes

Software

There are various items of software available through the School or IT Services. It is important to understand the various licensing rules applying to such software before it is used.

ChemBioDraw

The School has purchased an annual site license for ChemBioDraw. This is available to any bona fide member of staff or student of the University of St Andrews for use on University or personal computers. The current license expires at the end of 2012, but may have to periodically be updated (or re-authenticated).

Instructions for use with both PCs and Macs is at local chemistry drawing software

One of the components of ChemBioDraw for the PC is Chem3D. It has recently been announced that all of our users are entitled to have a single copy of Mopac 2007, which is accessed via Chem3D. Access is via the CambridgeSoft's online shop making sure that you use University of St Andrews as your institution. It is then possible to "purchase" Mopac2007 at zero cost.

Reaxsys (formerly Crossfire)

The University has  on-campus access to the former CrossFire Beilstein, CrossFire Gmelin and Patent Chemistry databases via the Reaxsys website. Off-campus access using university username and password is promised.

Crystalmaker

The School has purchased an annual departmental license for the Crystalmaker suite of programs for PCs and Macs. This available to any bona fide member of staff or student in the School of Chemistry of the University of St Andrews for use on University or personal computers.

The license expires annually, at which time it has to be re-installed.

Instructions for use with both PCs and Macs is restricted to staff and students of the School of Chemistry.

Gaussian

The School has purchased an site license for the Gaussian suite of programs. Gaussian may only be installed on computers which are owned by and operated within the University of St Andrews.

Please contact Dr Fruchtl

SciFinder

The University has a 7-user on-campus license for access to SciFinder (American Chemical Society Chemical Abstracts) via a web browser.

Off-campus, SciFinder Mobile offers unrestricted access.

On-campus access:
Web access - NEW - self-register and then  login using your University Computer Account Username and Password, then register with your University e-mail address

Off-campus access: use your self-registration Username and Password for access to SciFinder web and SciFinder Mobile 

It is not permitted to use SciFinder for commercial research.

Software available from IT Services

IT Services has a range of software available via its website such as antivirus software, PDF Converter, etc.

There are also links and advice about the acquisition and configuration of many other items of software

Free or "Open Source" Software

Much software is free for use, either as "Open Source" software, or as programs which are free for academic or personal use. It is each users responsibility to check the licensing terms of any softawre they use, but some useful examples are given below.

Data Manipulation and Plotting

A very simple program for plotting is XL-Plot for Windows. This may provide better results that the more business-oriented Microsoft Excel.

Software which should not be installed

Sofware available free for home use must not be installed on University computers. Examples include AdAware, AVG and AVAST antivirus software and many others.

The University has just subscribed to the Microsoft Campus Agreement which provides some Microsoft products for University computers. The licensing terms are quite rigorous and are still being finalised. For applications not covered by the Campus Agreement I.T.Services can sell licenses under the Microsoft Select scheme for University computers but for personal computers it is necessary to investigate academic or student licensing schemes.

Users not wishing to purchase MS Office may consider the use of OpenOffice (or NeoOffice on the Mac).

Networking

The University network is provided for academic use only.

The School will try to assist with the connection of personal laptops for postgraduates and staff. Application must be submitted on the Personal Network Connection Application (PDF, 43 KB) but access is dependent on availability and can not be guaranteed.

Network use

The School fully supports the University's Network Connection Policy (PDF, 113 KB) and assists I.T.S. in policing network use.

Many of the School's instruments critically depend on reliable networking and the School will instigate disciplinary procedures against anyone misusing the network.

Computer classroom