Pine/Pico: Advanced
Description: Doing More With Your Email Client Pine is one of the most popular email clients used on UNIX platforms today, but most users are familiar with only a small handful of Pine’s extensive features. In this document you can explore some of the more advanced and useful features of the Pine email client and its […]
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Scientific Application – Gaussian
Description: Table of Contents Overview Setting up your Environment and Invoking Tutorials Notes for Usage Links Recommended Citations Additional Help Overview Gaussian is capable of predicting many properties of molecules and reactions, including molecular energies and structures, bond and reaction energies, spectroscopic (IR, UV, Raman, NMR) properties, and reaction pathways. Computations can be carried out on […]
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Scientific Application – Amber
Description: Table of Contents Overview Setting up your Environment and Invoking Notes Links Recommended Citations Additional Help Overview Amber (Assisted Model Building with Energy Refinement) is a general-purpose molecular mechanics and dynamics program designed for the refinement of macro-molecular conformations using an analytical potential energy function. All Amber modules execute on our support servers. The program […]
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Scientific Application – NBO
Description: Overview Natural Bond Orbitals (NBOs) are localized few-center orbitals (“few” meaning typically 1 or 2, but occasionally more) that describe the Lewis-like molecular bonding pattern of electron pairs (or of individual electrons in the open-shell case) in optimally compact form. More precisely, NBOs are an orthonormal set of localized “maximum occupancy” orbitals whose leading N/2 […]
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Gaussian: Tutorial on Using LSF Scripts to Automate Jobs
Description: Introduction When Gaussian starts running jobs for relatively big molecules, it requires more disk space in saving some intermediate results during the course of the computation. It is always better to start up the job in scratch space to take advantage of unlimited disk space. In order to avoid moving files back and forth between […]
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Scientific Application – PyMOL
Description: Table of Contents Overview Setting up your Environment and Invoking Links Additional Help Overview PyMOL is a molecular viewer, render tool, 3D molecular editor developed in the spirit of RasMol and OpenRasMol and intended for visualization of 3D chemical structures including atomic resolution X-ray crystal structures of: proteins, nucleic acids (DNA, RNA, & tRNA), and […]
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SAS FAQ – How do I obtain a JMP license file?
Description: Introduction This document is intended for JMP users, and provides instructions for obtaining a JMP License file.. Instructions 1. Please go to the following web link: https://software.unc.edu/jmp 2. You will be prompted to enter your ONYEN and Password to access the website. 3. Supported Web Broswers: Internet Explorer 6 and above, Mozilla Firefox 1.x and […]
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Research Computing Application – X-Win32
Description: Overview This document describes how to install and invoke X-Win32, on a Microsoft Windows computer. X-Win32 is an X-Windows server that has a built-in secure shell (ssh) client called StarNetSSH. It is useful to users of Research Computing servers as it allows both ssh connections to any Research Computing server and display of a graphical […]
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Scientific Application – Materials Studio
Description: Overview Materials Studio┬« is a software environment that brings the world’s most advanced and validated materials simulation technology to desktop computing, solving key problems throughout the R&D process. Offering advanced visualization tools and access to the complete range of computational materials science methods, Materials Studio is designed for structural and computational researchers in chemicals and […]
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Installing additional components to SAS 9.1.3 (Onyen Restricted)
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