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17 Jul 2024: Search site. Computing. SCP over an SSH tunnel. The Chemistry workstations do not accept ssh connections from machines outside the Chemistry network. The only way to make an inward ssh connection is to use the VPN service, or to log into citadel,

17 Jul 2024: Search site. Computing. Policy - Orphaned Data. References. Problem. Someone leaves the Department leaving data on Department computer(s) to which only they had access. Colleagues (possibly now ex-colleagues), supervisors, managers want to access

17 Jul 2024: Search site. Computing. xmgrace. Plotting package. Availability:. All managed Linux workstations. Instructions for users:. Type. xmgrace. to launch it. Licence Details:. Grace is GPL. Documentation:. Extensive online documentation accessed via the

17 Jul 2024: Search site. Computing. Active Directory. A Department-wide Active directory has been implemented with the aims of:. Centralising and simplifying the systems administration of desktop and server computer systems. Simplifying user access through

17 Jul 2024: Search site. Computing. Labview. LabVIEW is a system-design platform and development environment for a visual programming language developed by National Instruments. Availability:. We can buy a per seat licence. Contact the Computer Officers to find

17 Jul 2024: Search site. Computing. Orange. Open source data visualization and analysis, data mining through visual programming or Python scripting, components for machine learning, add-ons for bioinformatics and text mining. Availability:. All managed Linux

17 Jul 2024: Search site. Computing. Scipy. Scientific computing package for python. Availability:. All managed Linux workstations, all compute clusters. Instructions for users:. On Ubuntu workstations this is available by default. On compute clusters the best

17 Jul 2024: configure --prefix=/usr/local/cas/grads/2.2.1 --with-netcdf=/usr/local/shared/ubuntu-20.04/x86_64/netcdf/gnu/4.8.1/ ... 20.04/x86_64/netcdf/gnu/4.8.1/include --with-netcdf-libdir=/usr/local/shared/ubuntu-20.04/x86_64/netcdf/gnu/4.8.1/lib/ --with-gadap #

17 Jul 2024: Search site. Computing. Sync with Unison. Unison. Windows binaries obtained from include both text (command line) and GUI versions. Save these to a folder of your choice e.g. C:Users<user>unison. All the command line setup is required to run the GUI

17 Jul 2024: Search site. Computing. Printing from managed linux computers in Theory, Molecular Informatics, and Atmospheric Science. All managed linux computers in the Theory and Molecular Informatics research groups should automatically have an appropriate

17 Jul 2024: 20,. 2491. (doi: 10.1021/acs.jctc.3c01378). Folded Spectrum VQE : A quantum computing method for the calculation of molecular excited states.

17 Jul 2024: Search site. Computing. How to enable ping. All computers connected to the Department network must respond to ping requests. Managed computers should have ping enabled by default, but personally-owned laptops often do not. Windows. Open Control

17 Jul 2024: Search site. Computing. Evernote. Desktop application for interacting with the Evernote note-taking service,. Availability:. Available on managed Windows workstations via WPKG. System status . Can't find what you're looking for? Then you might find

17 Jul 2024: Search site. Computing. Inkscape. Inkscape is professional quality vector graphics software. Availability:. Can be installed on managed Windows workstations. Should already be available on managed Linux workstations. Licence Details:. System status 

17 Jul 2024: Search site. Computing. Windows 11. Submitted by rl201 on Thu, 05/09/2024 - 14:20.

17 Jul 2024: Search site. Computing. Eclipse. Integrated Development Environment. Includes Subclipse and Maven plugins. Availability:. All 18.04 bionic managed Linux workstations. Instructions for users:. This is on the PATH; just type eclipse. to start it.

17 Jul 2024: Games are 20 overs and played mid-week starting around 6pm. This year the team included members of the Hunter, Phipps, Nitschke, Grey, Lee, Giorio, Reisner, Scherman, Bernardes, Thom, Balasubramanian and

17 Jul 2024: Search site. Computing. Chemistry IT Policies. These policies are the local rules, agreed upon by the IT committee and its predecessor, the Computing Services Committee, that apply over and above the network rules set by the University, JANET, and

17 Jul 2024: 2024). 20,. 5306. (doi: 10.1021/acs.jctc.4c00379). To Pair or not to Pair?

17 Jul 2024: Search site. Computing. Olex2. Quoting their website:. "Olex handles very complex crystallographic tasks through an intuitive GUI. The graphical user interface is the result of 10 years of striving to provide the best possible experience to

17 Jul 2024: Games are 20 overs and played mid-week starting around 6pm. The squad also included a few ‘ringers’ from other departments who didn’t have teams, meaning they were able to

17 Jul 2024: th. May 2013. Since he retired from the British Antarctic Survey, more than 20 years ago, he has had an office in the European Ozone Research Coordinating Unit within the Chemistry

17 Jul 2024: Search site. Computing. Site Index. A complete A-Z list of all pages on this website is available by clicking here. You can try going to that page and pressing control-F (Windows) or command-F (Mac OSX) to search. A (18) | B (5) | C (40) | D (13) |

17 Jul 2024: Search site. Yusuf Hamied Department of Chemistry. People. Welcoming prospective undergraduates. People. Image: Department of Chemistry. Monday, July 1, 2019. We'll be welcoming prospective undergraduates during the University Open Days

17 Jul 2024: Search site. Computing. ChemDraw and ChemOffice. Availability:. ChemOffice+ Cloud 21.0 (previously known as ChemOffice Professional) is now available to download for members of the university. ChemOffice+ Cloud 21.0 is now available on managed

17 Jul 2024: Search site. Computing. Intel MPI. MPI library that can use either Intel or GNU compilers. Availability:. All managed linux workstations and managed clusters whose OS is new enough. Instructions for users:. Load the mpi/intel environment module and

17 Jul 2024: Search site. Yusuf Hamied Department of Chemistry. People. Chemistry Open Day Cancelled. People. Image: Department of Chemistry Photography. Friday, March 13, 2020. We are sorry to announce that Chemistry Open Day on Saturday 14 March has been

17 Jul 2024: Search site. Computing. IviumSoft. Availability:. Available on managed Windows workstations via WPKG. System status . Can't find what you're looking for? Then you might find our A-Z site index useful. Or, you can search the site using the box at

17 Jul 2024: Search site. Computing. XCrySDen. Molecular visualisation software. Availability:. All managed Linux workstations. Instructions for users:. It should be on the PATH so just type. xcrysden. Licence Details:. GPL, but the author says:. Whenever

17 Jul 2024: 2024). 20,. 5306. (DOI: 10.1021/acs.jctc.4c00379). Improved Detection of Drug-Induced Liver Injury by Integrating Predicted<i>in vivo</i>and<i>in vitro</i>Data. ... Journal of chemical theory and computation. (2024). 20,. 4146. (DOI:

17 Jul 2024: Atmospheric Chemistry and Physics. (2020). 20,. 15775. (doi:Difference in ambient-personal exposure to PM2.5 and its inflammatory effect in local residents in urban and peri-urban Beijing, China: results

17 Jul 2024: Dr Florian Buhr is a postdoc in the Vendruscolo Group. As he explains: "Every 20 minutes, someone in the UK is diagnosed with a form of blood cancer such as leukaemia

17 Jul 2024: Search site. Computing. Network usage policy. Chemistry Department Network usage. Basic dos and don'ts of being on the Chemistry Department network. All Departmentally-owned computers must have a "registered user" in the Department database. When

17 Jul 2024: Search site. Computing. Dropbox Business. Dropbox Business is a secure, cloud-based file sharing and storage service providing access to your files from your computer, your mobile devices and the web. You can share your files securely with others,

17 Jul 2024: Search site. Computing. Exim4 Xymon Script. Reports the status of mail configuration on machines with Exim installed. Requirements. The exim4 script requires some setting up. Put the script into your. /hobbit/client/ext/. directory. Ensure the

17 Jul 2024: Search site. Computing. Jmol. Jmol is a Java molecular viewer for three-dimensional chemical structures. Features include reading a variety of file types and output from quantum chemistry programs, and animation of multi-frame files and computed

17 Jul 2024: Atmospheric Chemistry and Physics. (2020). 20,. 15775. (doi:Difference in ambient-personal exposure to PM2.5 and its inflammatory effect in local residents in urban and peri-urban Beijing, China: results

17 Jul 2024: Search site. Computing. Aten. Aten is a tool for computational chemists for creating, editing and visualising atomic coordinates. Availability:. Ubuntu workstations. Instructions for users:. Load the module and then you can just type. aten. to start

17 Jul 2024: Search site. Yusuf Hamied Department of Chemistry. People. Showcasing our students' work. People. Image courtesy of the Department of Chemistry. Monday, September 24, 2018. This week is Chemistry Showcase Week when, to enhance their science

17 Jul 2024: Search site. Computing. Meeting Owl 3. The Chemistry IT team owns a Meeting Owl 3 which we make available to the members of the department. It’s a 3-in-1 360 camera, mic, and a speaker. To book the Owl please email us at owl@ch.cam.ac.uk. There

17 Jul 2024: Search site. Communications and Web Services. The Communications and Web Team. Chemistry Call My Bluff for the September University Alumni Festival. The Communications and Web Team. Welcome to the Communications and Web Team. We have responsibility

17 Jul 2024: Search site. Computing. Windows software packages. Software on Managed Windows Workstations is managed through WPKG. The following list shows all of the software which is currently available for deployment - please note that software marked () is

17 Jul 2024: Search site. Computing. Cyber Security. System status . Can't find what you're looking for? Then you might find our A-Z site index useful. Or, you can search the site using the box at the top of the page, or by clicking here. Quick Links. Yusuf

17 Jul 2024: Search site. Computing. WinDirStat. WinDirStat is a free, open-source disk usage analyzer and cleanup software for Microsoft Windows. Availability:. Managed Windows computers through WPKG. System status . Can't find what you're looking for? Then

17 Jul 2024: Currency: euro (EUR). TRANSPORT. Lovran is located 20 km away from one of the biggest Croatian cities Rijeka. ... The cost of a taxi ride from Rijeka bus/train station to Hotel Excelsior is approximately 20 (20 km travel distance).

17 Jul 2024: I am a member of the AI4ER CDT, where I completed an MRes degree in 2019-20.

17 Jul 2024: Search site. Computing. Schrodinger. An all-purpose molecular modeling environment. Availability:. Managed Linux workstations and managed Windows workstations in groups which have contributed to the cost of the license. A list of the groups in the

17 Jul 2024: configure --prefix=/usr/local/shared/ubuntu-20.04/x86_64/netcdff/gnu/4.5.4 #25s time make #55s time make check #1m29 time sudo make install #1s. ... configure --prefix=/usr/local/shared/ubuntu-20.04/x86_64/netcdf/intel/4.8.1 --enable-netcdf-4 #20s time

17 Jul 2024: 2024). 20,. 5306. (doi: 10.1021/acs.jctc.4c00379). To Pair or not to Pair?

17 Jul 2024: Search site. Computing. Remote working tools. There are a number of tools that might be of use to members of the Department when working remotely. This might include remotely accessing Department IT resources, or tools for collaborating with others